N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide

C16H14ClNO2S — CID 81259481

IUPACN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Cl)cc1C#CCCO
InChIInChI=1S/C16H14ClNO2S/c17-13-6-7-15(12(10-13)4-1-2-8-19)18-16(20)11-14-5-3-9-21-14/h3,5-7,9-10,19H,2,8,11H2,(H,18,20)
InChIKeyOAIBRLPNEOMZRZ-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.32
Rot. Bonds4

About N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide

N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 81259481) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID81259481
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC NameN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Cl)cc1C#CCCO
InChIInChI=1S/C16H14ClNO2S/c17-13-6-7-15(12(10-13)4-1-2-8-19)18-16(20)11-14-5-3-9-21-14/h3,5-7,9-10,19H,2,8,11H2,(H,18,20)
InChIKeyOAIBRLPNEOMZRZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]thiophene-2-carboxamide
CID 81268460
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 81263564
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
N-(2,4-dichlorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63797772
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922441
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-2-ylacetamide
CID 81260163
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 81271553
1-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-3-cyclobutylurea
CID 116658773
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
CID 81264318
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113001015
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide (CID 81259481) is N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Cl)cc1C#CCCO.
What is the InChIKey of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OAIBRLPNEOMZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c17-13-6-7-15(12(10-13)4-1-2-8-19)18-16(20)11-14-5-3-9-21-14/h3,5-7,9-10,19H,2,8,11H2,(H,18,20).
What are the key properties of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 319.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 81259481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).