N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

C20H24N2O3S — CID 46595962

IUPACN-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-13-4-11-19(12-14(13)2)26(24,25)22-15(3)16-7-9-18(10-8-16)21-20(23)17-5-6-17/h4,7-12,15,17,22H,5-6H2,1-3H3,(H,21,23)
InChIKeyDPSSCLYYZJWDIH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.69
Rot. Bonds6

About N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 46595962) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID46595962
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-13-4-11-19(12-14(13)2)26(24,25)22-15(3)16-7-9-18(10-8-16)21-20(23)17-5-6-17/h4,7-12,15,17,22H,5-6H2,1-3H3,(H,21,23)
InChIKeyDPSSCLYYZJWDIH-UHFFFAOYSA-N
XLogP3.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598275
N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598955
N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55691640
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 43058083
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide
CID 43070773
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46599200

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 46595962) is N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1C.
What is the InChIKey of N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DPSSCLYYZJWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-4-11-19(12-14(13)2)26(24,25)22-15(3)16-7-9-18(10-8-16)21-20(23)17-5-6-17/h4,7-12,15,17,22H,5-6H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46595962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).