4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide

C23H30N2O4S — CID 18206824

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
SMILESCCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-4-9-22(20-10-6-5-7-11-20)24-23(27)12-8-17-25(3)30(28,29)21-15-13-19(14-16-21)18(2)26/h5-7,10-11,13-16,22H,4,8-9,12,17H2,1-3H3,(H,24,27)
InChIKeySUIMHBFZNCKECQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.95
Rot. Bonds11

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide (PubChem CID 18206824) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
PubChem CID18206824
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
SMILESCCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-4-9-22(20-10-6-5-7-11-20)24-23(27)12-8-17-25(3)30(28,29)21-15-13-19(14-16-21)18(2)26/h5-7,10-11,13-16,22H,4,8-9,12,17H2,1-3H3,(H,24,27)
InChIKeySUIMHBFZNCKECQ-UHFFFAOYSA-N
XLogP3.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 55371906
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 46447025
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
CID 24547843
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide (CID 18206824) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide is CCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide?
The InChIKey is SUIMHBFZNCKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-9-22(20-10-6-5-7-11-20)24-23(27)12-8-17-25(3)30(28,29)21-15-13-19(14-16-21)18(2)26/h5-7,10-11,13-16,22H,4,8-9,12,17H2,1-3H3,(H,24,27).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide has a molecular weight of 430.57 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide is sourced from PubChem (CID 18206824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).