2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide

C23H29BrN2O3S — CID 126077296

IUPAC2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H29BrN2O3S/c1-18-8-14-22(15-9-18)30(28,29)26(16-19-10-12-20(24)13-11-19)17-23(27)25-21-6-4-2-3-5-7-21/h8-15,21H,2-7,16-17H2,1H3,(H,25,27)
InChIKeyNQZGAEXCPPYHSN-UHFFFAOYSA-N
MW493.47 g/mol
LogP4.79
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide

2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide (PubChem CID 126077296) has the molecular formula C23H29BrN2O3S and a molecular weight of 493.47 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
PubChem CID126077296
Molecular FormulaC23H29BrN2O3S
Molecular Weight493.47 g/mol
Exact Mass492.11
IUPAC Name2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H29BrN2O3S/c1-18-8-14-22(15-9-18)30(28,29)26(16-19-10-12-20(24)13-11-19)17-23(27)25-21-6-4-2-3-5-7-21/h8-15,21H,2-7,16-17H2,1H3,(H,25,27)
InChIKeyNQZGAEXCPPYHSN-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874567
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646
2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132644021
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
(2R)-2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125098716
N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797939
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide (CID 126077296) is 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide?
The InChIKey is NQZGAEXCPPYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3S/c1-18-8-14-22(15-9-18)30(28,29)26(16-19-10-12-20(24)13-11-19)17-23(27)25-21-6-4-2-3-5-7-21/h8-15,21H,2-7,16-17H2,1H3,(H,25,27).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide?
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide has a molecular weight of 493.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 126077296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).