N-benzhydryl-4-(N-methylsulfonylanilino)butanamide

C24H26N2O3S — CID 9173073

IUPACN-benzhydryl-4-(N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)26(22-16-9-4-10-17-22)19-11-18-23(27)25-24(20-12-5-2-6-13-20)21-14-7-3-8-15-21/h2-10,12-17,24H,11,18-19H2,1H3,(H,25,27)
InChIKeyHCBXHARSRTXGMO-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.14
Rot. Bonds9

About N-benzhydryl-4-(N-methylsulfonylanilino)butanamide

N-benzhydryl-4-(N-methylsulfonylanilino)butanamide (PubChem CID 9173073) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-benzhydryl-4-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-benzhydryl-4-(N-methylsulfonylanilino)butanamide
PubChem CID9173073
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-benzhydryl-4-(N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)26(22-16-9-4-10-17-22)19-11-18-23(27)25-24(20-12-5-2-6-13-20)21-14-7-3-8-15-21/h2-10,12-17,24H,11,18-19H2,1H3,(H,25,27)
InChIKeyHCBXHARSRTXGMO-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2,4-dimethylphenyl)-phenylmethyl]butanamide
CID 133201653
4-(3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172594
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 93486320
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2,4-dimethylphenyl)-phenylmethyl]butanamide
CID 133256896
4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 125052831
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28579235
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-benzhydryl-4-(N-methylsulfonylanilino)butanamide (CID 9173073) is N-benzhydryl-4-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-benzhydryl-4-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-benzhydryl-4-(N-methylsulfonylanilino)butanamide is CS(=O)(=O)N(CCCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-4-(N-methylsulfonylanilino)butanamide?
The InChIKey is HCBXHARSRTXGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-30(28,29)26(22-16-9-4-10-17-22)19-11-18-23(27)25-24(20-12-5-2-6-13-20)21-14-7-3-8-15-21/h2-10,12-17,24H,11,18-19H2,1H3,(H,25,27).
What are the key properties of N-benzhydryl-4-(N-methylsulfonylanilino)butanamide?
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide has a molecular weight of 422.55 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 9173073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).