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

C16H18ClNO2S — CID 122160784

IUPAC2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
SMILESO=C(NCCC(CCO)c1ccsc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/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)
InChIKeyKFBGJDFEAXKKJH-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.69
Rot. Bonds7

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

2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide (PubChem CID 122160784) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
PubChem CID122160784
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
SMILESO=C(NCCC(CCO)c1ccsc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/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)
InChIKeyKFBGJDFEAXKKJH-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
CID 122160805
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
2-chloro-N-[2-[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111704679
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132130
2-chloro-N-[2-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111704062
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide
CID 122160193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
The IUPAC name of 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide (CID 122160784) is 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
The canonical SMILES for 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide is O=C(NCCC(CCO)c1ccsc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
The InChIKey is KFBGJDFEAXKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/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-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide?
2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide has a molecular weight of 323.85 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide is sourced from PubChem (CID 122160784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).