1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide

C22H28N2O5S2 — CID 16590699

IUPAC1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1
InChIInChI=1S/C22H28N2O5S2/c1-3-24(4-2)31(28,29)20-14-10-11-18(17-20)23-21(25)22(15-8-9-16-22)30(26,27)19-12-6-5-7-13-19/h5-7,10-14,17H,3-4,8-9,15-16H2,1-2H3,(H,23,25)
InChIKeyDCGGONGTBQYNDJ-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.44
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 16590699) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
PubChem CID16590699
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1
InChIInChI=1S/C22H28N2O5S2/c1-3-24(4-2)31(28,29)20-14-10-11-18(17-20)23-21(25)22(15-8-9-16-22)30(26,27)19-12-6-5-7-13-19/h5-7,10-14,17H,3-4,8-9,15-16H2,1-2H3,(H,23,25)
InChIKeyDCGGONGTBQYNDJ-UHFFFAOYSA-N
XLogP3.44
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593032
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042
N-[3-(diethylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 16551934
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
CID 30473775
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
1-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 16592029
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide (CID 16590699) is 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is DCGGONGTBQYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-3-24(4-2)31(28,29)20-14-10-11-18(17-20)23-21(25)22(15-8-9-16-22)30(26,27)19-12-6-5-7-13-19/h5-7,10-14,17H,3-4,8-9,15-16H2,1-2H3,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 16590699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).