N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide

C18H21NO3S — CID 12559254

IUPACN-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-5-9-16(10-6-14)19-18(20)4-3-13-23(21,22)17-11-7-15(2)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChIKeyBAKKMBMNHMLGFV-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.50
Rot. Bonds6

About N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide

N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 12559254) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID12559254
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-5-9-16(10-6-14)19-18(20)4-3-13-23(21,22)17-11-7-15(2)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChIKeyBAKKMBMNHMLGFV-UHFFFAOYSA-N
XLogP3.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585815
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
1-methyl-4-(4-sulfonatosulfanylbutanoylamino)benzene
CID 3564180
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(4-methylphenyl)pentanamide
CID 3662375
butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 2612880
4-(4-methoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 41273714
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide (CID 12559254) is N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is BAKKMBMNHMLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-5-9-16(10-6-14)19-18(20)4-3-13-23(21,22)17-11-7-15(2)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide?
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 331.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 12559254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).