N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide

C16H18BrNOS — CID 62367265

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C16H18BrNOS/c1-12-5-3-4-6-14(12)7-8-16(19)18(2)10-13-9-15(17)20-11-13/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyHKPFVFFNYDSJLD-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.41
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide (PubChem CID 62367265) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
PubChem CID62367265
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C16H18BrNOS/c1-12-5-3-4-6-14(12)7-8-16(19)18(2)10-13-9-15(17)20-11-13/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyHKPFVFFNYDSJLD-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
N-[(5-bromothiophen-3-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 61394516
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 63323822
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
4-[[methyl-[3-(2-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119225951
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 86839463
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide (CID 62367265) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide?
The InChIKey is HKPFVFFNYDSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-12-5-3-4-6-14(12)7-8-16(19)18(2)10-13-9-15(17)20-11-13/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide has a molecular weight of 352.30 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62367265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).