methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate

C14H13BrN2O3S — CID 79917096

IUPACmethyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-8-6-11(21-12(8)15)13(18)16-9-4-3-5-10(7-9)17-14(19)20-2/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyYPVAMJYRRBLSAI-UHFFFAOYSA-N
MW369.24 g/mol
LogP4.25
Rot. Bonds3

About methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate

methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate (PubChem CID 79917096) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
PubChem CID79917096
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Namemethyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-8-6-11(21-12(8)15)13(18)16-9-4-3-5-10(7-9)17-14(19)20-2/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyYPVAMJYRRBLSAI-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate 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

5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 79916381
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate (CID 79917096) is methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate?
The InChIKey is YPVAMJYRRBLSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-8-6-11(21-12(8)15)13(18)16-9-4-3-5-10(7-9)17-14(19)20-2/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate?
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate has a molecular weight of 369.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 79917096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).