N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide

C19H22BrN3O4S — CID 164610308

IUPACN-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O4S/c1-12(2)11-17(21)19(25)23-28(26,27)16-9-7-15(8-10-16)22-18(24)13-3-5-14(20)6-4-13/h3-10,12,17H,11,21H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyZUJHAZBTEFDYLM-KRWDZBQOSA-N
MW468.37 g/mol
LogP2.88
Rot. Bonds7

About N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide

N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide (PubChem CID 164610308) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
PubChem CID164610308
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC NameN-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O4S/c1-12(2)11-17(21)19(25)23-28(26,27)16-9-7-15(8-10-16)22-18(24)13-3-5-14(20)6-4-13/h3-10,12,17H,11,21H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyZUJHAZBTEFDYLM-KRWDZBQOSA-N
XLogP2.88
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
CID 164614393
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
ethyl 4-[[(2R)-2-[(4-bromophenyl)sulfonylamino]propanoyl]amino]benzoate
CID 1007981
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide?
The IUPAC name of N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide (CID 164610308) is N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide?
The canonical SMILES for N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide?
The InChIKey is ZUJHAZBTEFDYLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c1-12(2)11-17(21)19(25)23-28(26,27)16-9-7-15(8-10-16)22-18(24)13-3-5-14(20)6-4-13/h3-10,12,17H,11,21H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide?
N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide has a molecular weight of 468.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide is sourced from PubChem (CID 164610308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).