1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide

C22H28N2O5S2 — CID 24566519

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CCCC2)cc1C
InChIInChI=1S/C22H28N2O5S2/c1-16-7-10-20(15-17(16)2)30(26,27)22(13-5-6-14-22)21(25)23-18-8-11-19(12-9-18)31(28,29)24(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyTWLGAVNLPKMTKN-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.28
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 24566519) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
PubChem CID24566519
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CCCC2)cc1C
InChIInChI=1S/C22H28N2O5S2/c1-16-7-10-20(15-17(16)2)30(26,27)22(13-5-6-14-22)21(25)23-18-8-11-19(12-9-18)31(28,29)24(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyTWLGAVNLPKMTKN-UHFFFAOYSA-N
XLogP3.28
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565442
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 37352937
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
CID 39642729
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565396
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744
methyl 1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylate
CID 56689977

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide (CID 24566519) is 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is TWLGAVNLPKMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-16-7-10-20(15-17(16)2)30(26,27)22(13-5-6-14-22)21(25)23-18-8-11-19(12-9-18)31(28,29)24(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,25).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 24566519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).