N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C16H18BrNO2S — CID 47042136

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-18(10-15-9-13(17)11-21-15)16(19)8-5-12-3-6-14(20-2)7-4-12/h3-4,6-7,9,11H,5,8,10H2,1-2H3
InChIKeyVEBQLPFYECLYSL-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.11
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 47042136) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID47042136
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-18(10-15-9-13(17)11-21-15)16(19)8-5-12-3-6-14(20-2)7-4-12/h3-4,6-7,9,11H,5,8,10H2,1-2H3
InChIKeyVEBQLPFYECLYSL-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684
N-[(4-bromothiophen-2-yl)methyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide
CID 55844119
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 60784042
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026055
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N-[(5-bromothiophen-2-yl)methyl]-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 55512669

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 47042136) is N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)Cc2cc(Br)cs2)cc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is VEBQLPFYECLYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-18(10-15-9-13(17)11-21-15)16(19)8-5-12-3-6-14(20-2)7-4-12/h3-4,6-7,9,11H,5,8,10H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 368.30 g/mol, XLogP of 4.11, 6 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-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 47042136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).