Chemical ID: 4097819

c1ccc2cc(ccc2c1)S(=O)(=O)N3CCCC3C(=O)NCc4ccco4
Chemical ID:
4097819
Name [?]:
N-(2-furylmethyl)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxamide
SMILES [?]:
c1ccc2cc(ccc2c1)S(=O)(=O)N3CCCC3C(=O)NCc4ccco4
InChi [?]:
InChI=1/C20H20N2O4S/c23-20(21-14-17-7-4-12-26-17)19-8-3-11-22(19)27(24,25)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,4-7,9-10,12-13,19H,3,8,11,14H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,16,25,10,3,24,17,8,7,15,26,5,22,9,4,23,6,18,19,21,14,20,12,13,27,11/E:(24,25)/CRV:27.6/rA:27cCCCCCCCCCCSOONCCCCCONCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;d11;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;s22;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.42722
Area:585.107
Solvation:-5.20046
Coulombic:-35.2168
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.56
LogP (Chemaxon):2.34

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Descriptor Annotations

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