3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

Name: 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₆BrNOS — CID 113460696

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

SMILESCc1cc(Br)cc(C(=O)N(C)Cc2sccc2C)c1

InChIInChI=1S/C15H16BrNOS/c1-10-6-12(8-13(16)7-10)15(18)17(3)9-14-11(2)4-5-19-14/h4-8H,9H2,1-3H3

InChIKeyPLAPJDKLZNHJGG-UHFFFAOYSA-N

MW338.27 g/mol

LogP4.40

Rot. Bonds3

About 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 113460696) has the molecular formula C₁₅H₁₆BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name	3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID	113460696
Molecular Formula	C₁₅H₁₆BrNOS
Molecular Weight	338.27 g/mol
Exact Mass	337.01
IUPAC Name	3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILES	Cc1cc(Br)cc(C(=O)N(C)Cc2sccc2C)c1
InChI	InChI=1S/C15H16BrNOS/c1-10-6-12(8-13(16)7-10)15(18)17(3)9-14-11(2)4-5-19-14/h4-8H,9H2,1-3H3
InChIKey	PLAPJDKLZNHJGG-UHFFFAOYSA-N
XLogP	4.40
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.27
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 113460696) is 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1cc(Br)cc(C(=O)N(C)Cc2sccc2C)c1.

What is the InChIKey of 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?

The InChIKey is PLAPJDKLZNHJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10-6-12(8-13(16)7-10)15(18)17(3)9-14-11(2)4-5-19-14/h4-8H,9H2,1-3H3.

What are the key properties of 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?

3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 338.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 113460696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 113460696 — identifiers, structure, computed properties (public domain)

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