1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide

C21H26N2O5S2 — CID 24593042

IUPAC1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C21H26N2O5S2/c1-16-11-12-18(30(27,28)23(2)3)15-19(16)22-20(24)21(13-7-8-14-21)29(25,26)17-9-5-4-6-10-17/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(H,22,24)
InChIKeyXSYKATGXHCXLOW-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.97
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide (PubChem CID 24593042) has the molecular formula C21H26N2O5S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
PubChem CID24593042
Molecular FormulaC21H26N2O5S2
Molecular Weight450.58 g/mol
Exact Mass450.13
IUPAC Name1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C21H26N2O5S2/c1-16-11-12-18(30(27,28)23(2)3)15-19(16)22-20(24)21(13-7-8-14-21)29(25,26)17-9-5-4-6-10-17/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(H,22,24)
InChIKeyXSYKATGXHCXLOW-UHFFFAOYSA-N
XLogP2.97
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.97
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-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 24566519
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
1-(benzenesulfonyl)-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 23732618
1-(4-tert-butylphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopropane-1-carboxamide
CID 46686248
6-bromo-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide
CID 4861452
3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
CID 75414478
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide (CID 24593042) is 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide?
The InChIKey is XSYKATGXHCXLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S2/c1-16-11-12-18(30(27,28)23(2)3)15-19(16)22-20(24)21(13-7-8-14-21)29(25,26)17-9-5-4-6-10-17/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 24593042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).