N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide

C15H17BrN2OS — CID 61000928

IUPACN-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(C)c2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2OS/c1-9-4-5-12(18-11(3)19)8-13(9)17-10(2)14-6-7-15(16)20-14/h4-8,10,17H,1-3H3,(H,18,19)
InChIKeyZXJCTMVSESFJNQ-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.95
Rot. Bonds4

About N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide

N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide (PubChem CID 61000928) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
PubChem CID61000928
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(C)c2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2OS/c1-9-4-5-12(18-11(3)19)8-13(9)17-10(2)14-6-7-15(16)20-14/h4-8,10,17H,1-3H3,(H,18,19)
InChIKeyZXJCTMVSESFJNQ-UHFFFAOYSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide 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-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
CID 43677299
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-nitroaniline
CID 54897879
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
methyl 2-(5-acetamido-2-methylanilino)propanoate
CID 66174130
methyl 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbenzoate
CID 61000927
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-3-(trifluoromethyl)aniline
CID 63455411
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide (CID 61000928) is N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NC(C)c2ccc(Br)s2)c1.
What is the InChIKey of N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide?
The InChIKey is ZXJCTMVSESFJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-9-4-5-12(18-11(3)19)8-13(9)17-10(2)14-6-7-15(16)20-14/h4-8,10,17H,1-3H3,(H,18,19).
What are the key properties of N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide?
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide has a molecular weight of 353.29 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 61000928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).