1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide

C24H32N2O3S — CID 39642729

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCCCN(C)c3ccccc3)CCCC2)cc1C
InChIInChI=1S/C24H32N2O3S/c1-19-12-13-22(18-20(19)2)30(28,29)24(14-7-8-15-24)23(27)25-16-9-17-26(3)21-10-5-4-6-11-21/h4-6,10-13,18H,7-9,14-17H2,1-3H3,(H,25,27)
InChIKeyWBFFCKVNLREQFL-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.03
Rot. Bonds8

About 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide (PubChem CID 39642729) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
PubChem CID39642729
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCCCN(C)c3ccccc3)CCCC2)cc1C
InChIInChI=1S/C24H32N2O3S/c1-19-12-13-22(18-20(19)2)30(28,29)24(14-7-8-15-24)23(27)25-16-9-17-26(3)21-10-5-4-6-11-21/h4-6,10-13,18H,7-9,14-17H2,1-3H3,(H,25,27)
InChIKeyWBFFCKVNLREQFL-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
1-(3,4-dimethylphenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 39643764
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-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 24566519
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484957
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 80593151
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042
N-hydroxy-4-[methylidene-[3-methyl-4-[3-(N-methyl-3-phenylanilino)propyl]phenyl]-oxo-λ6-sulfanyl]oxepane-4-carboxamide
CID 142186305
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide (CID 39642729) is 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)NCCCN(C)c3ccccc3)CCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
The InChIKey is WBFFCKVNLREQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-19-12-13-22(18-20(19)2)30(28,29)24(14-7-8-15-24)23(27)25-16-9-17-26(3)21-10-5-4-6-11-21/h4-6,10-13,18H,7-9,14-17H2,1-3H3,(H,25,27).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 39642729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).