N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide

C15H16BrNO2S — CID 47042156

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1
InChIInChI=1S/C15H16BrNO2S/c1-17(8-14-7-13(16)10-20-14)15(18)12-5-3-4-11(6-12)9-19-2/h3-7,10H,8-9H2,1-2H3
InChIKeyZQWYCOAPKBTRPJ-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide

N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide (PubChem CID 47042156) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide
PubChem CID47042156
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1
InChIInChI=1S/C15H16BrNO2S/c1-17(8-14-7-13(16)10-20-14)15(18)12-5-3-4-11(6-12)9-19-2/h3-7,10H,8-9H2,1-2H3
InChIKeyZQWYCOAPKBTRPJ-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide 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-bromothiophen-2-yl)methyl]-3-cyano-N-methylbenzamide
CID 47042133
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide
CID 55742620
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 60784042
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide (CID 47042156) is N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide is COCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide?
The InChIKey is ZQWYCOAPKBTRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-17(8-14-7-13(16)10-20-14)15(18)12-5-3-4-11(6-12)9-19-2/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide?
N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide has a molecular weight of 354.27 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 47042156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).