2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide

C16H18BrNO2S — CID 122160805

IUPAC2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
SMILESO=C(NCCC(CCO)c1ccsc1)c1ccccc1Br
InChIInChI=1S/C16H18BrNO2S/c17-15-4-2-1-3-14(15)16(20)18-8-5-12(6-9-19)13-7-10-21-11-13/h1-4,7,10-12,19H,5-6,8-9H2,(H,18,20)
InChIKeyDHFYPSNEPKQEIW-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.80
Rot. Bonds7

About 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide

2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide (PubChem CID 122160805) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
PubChem CID122160805
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
SMILESO=C(NCCC(CCO)c1ccsc1)c1ccccc1Br
InChIInChI=1S/C16H18BrNO2S/c17-15-4-2-1-3-14(15)16(20)18-8-5-12(6-9-19)13-7-10-21-11-13/h1-4,7,10-12,19H,5-6,8-9H2,(H,18,20)
InChIKeyDHFYPSNEPKQEIW-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)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

2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
CID 122160784
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide
CID 122160839
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872845
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
The IUPAC name of 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide (CID 122160805) is 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
The canonical SMILES for 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide is O=C(NCCC(CCO)c1ccsc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
The InChIKey is DHFYPSNEPKQEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c17-15-4-2-1-3-14(15)16(20)18-8-5-12(6-9-19)13-7-10-21-11-13/h1-4,7,10-12,19H,5-6,8-9H2,(H,18,20).
What are the key properties of 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide has a molecular weight of 368.30 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide is sourced from PubChem (CID 122160805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).