4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C15H16BrNOS — CID 102851500

IUPAC4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(CBr)cc2)s1
InChIInChI=1S/C15H16BrNOS/c1-10-3-8-14(19-10)11(2)17-15(18)13-6-4-12(9-16)5-7-13/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyUCYZSIPXNJUNMO-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.44
Rot. Bonds4

About 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 102851500) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID102851500
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(CBr)cc2)s1
InChIInChI=1S/C15H16BrNOS/c1-10-3-8-14(19-10)11(2)17-15(18)13-6-4-12(9-16)5-7-13/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyUCYZSIPXNJUNMO-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide 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

4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 51098539
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
CID 102851621
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
1-[(4-bromophenyl)methyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 86896043
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 61355560
3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 94204034
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471765

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 102851500) is 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(CBr)cc2)s1.
What is the InChIKey of 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is UCYZSIPXNJUNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10-3-8-14(19-10)11(2)17-15(18)13-6-4-12(9-16)5-7-13/h3-8,11H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 338.27 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 102851500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).