4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide

C19H21BrN2O4S — CID 30844560

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O4S/c1-14(23)15-8-10-18(11-9-15)27(25,26)22(2)12-4-7-19(24)21-17-6-3-5-16(20)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,21,24)
InChIKeyFKTOJWMQMXJIOJ-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.69
Rot. Bonds8

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide (PubChem CID 30844560) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
PubChem CID30844560
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O4S/c1-14(23)15-8-10-18(11-9-15)27(25,26)22(2)12-4-7-19(24)21-17-6-3-5-16(20)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,21,24)
InChIKeyFKTOJWMQMXJIOJ-UHFFFAOYSA-N
XLogP3.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
CID 8574452
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
methyl 3-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4-chlorobenzoate
CID 30932748
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide (CID 30844560) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide?
The InChIKey is FKTOJWMQMXJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-14(23)15-8-10-18(11-9-15)27(25,26)22(2)12-4-7-19(24)21-17-6-3-5-16(20)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide has a molecular weight of 453.36 g/mol, XLogP of 3.69, 8 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-(3-bromophenyl)butanamide is sourced from PubChem (CID 30844560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).