N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide

C19H24N2O3S — CID 10067092

IUPACN,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)25(23,24)20-14-13-16(2)19(22)21(3)17-7-5-4-6-8-17/h4-12,16,20H,13-14H2,1-3H3
InChIKeyJRBMOPKHTPISPD-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.96
Rot. Bonds7

About N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide

N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide (PubChem CID 10067092) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide
PubChem CID10067092
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)25(23,24)20-14-13-16(2)19(22)21(3)17-7-5-4-6-8-17/h4-12,16,20H,13-14H2,1-3H3
InChIKeyJRBMOPKHTPISPD-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 18269031
4-[(4-methylphenyl)sulfonylamino]-2-phenylsulfanylbutanoic acid
CID 67586105
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234535
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7429425
4-[(4-iodophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540438
(2S)-2-amino-N,4-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide;hydrochloride
CID 119807203
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 120501754
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide?
The IUPAC name of N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide (CID 10067092) is N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide.
What is the SMILES notation for N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide?
The canonical SMILES for N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide is Cc1ccc(S(=O)(=O)NCCC(C)C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide?
The InChIKey is JRBMOPKHTPISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)25(23,24)20-14-13-16(2)19(22)21(3)17-7-5-4-6-8-17/h4-12,16,20H,13-14H2,1-3H3.
What are the key properties of N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide?
N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide has a molecular weight of 360.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide is sourced from PubChem (CID 10067092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).