N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

C19H21BrN2O4S — CID 29435478

IUPACN-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H21BrN2O4S/c1-26-17-10-9-13(19(23)21-16-8-4-5-14(20)12-16)11-18(17)27(24,25)22-15-6-2-3-7-15/h4-5,8-12,15,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyBAQVWTJPXSGUOP-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.93
Rot. Bonds6

About N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (PubChem CID 29435478) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
PubChem CID29435478
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC NameN-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H21BrN2O4S/c1-26-17-10-9-13(19(23)21-16-8-4-5-14(20)12-16)11-18(17)27(24,25)22-15-6-2-3-7-15/h4-5,8-12,15,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyBAQVWTJPXSGUOP-UHFFFAOYSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide 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-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
CID 26381192
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
3-(cyclopentylsulfamoyl)-4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42147015

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (CID 29435478) is N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The InChIKey is BAQVWTJPXSGUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-17-10-9-13(19(23)21-16-8-4-5-14(20)12-16)11-18(17)27(24,25)22-15-6-2-3-7-15/h4-5,8-12,15,22H,2-3,6-7H2,1H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide has a molecular weight of 453.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 29435478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).