N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C15H12ClNO2S — CID 63798145

IUPACN-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sccc1C#CCO
InChIInChI=1S/C15H12ClNO2S/c1-10-4-5-12(16)9-13(10)17-15(19)14-11(3-2-7-18)6-8-20-14/h4-6,8-9,18H,7H2,1H3,(H,17,19)
InChIKeyYNRPYLKNEPRCJI-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.31
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 63798145) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID63798145
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sccc1C#CCO
InChIInChI=1S/C15H12ClNO2S/c1-10-4-5-12(16)9-13(10)17-15(19)14-11(3-2-7-18)6-8-20-14/h4-6,8-9,18H,7H2,1H3,(H,17,19)
InChIKeyYNRPYLKNEPRCJI-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.31
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

N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxythiophene-2-carboxamide
CID 81270159
N-(2,4-dichlorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63797772
3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 63798029
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797802
N-(3,5-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797784
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
CID 81279963
3-(3-hydroxyprop-1-ynyl)-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642800
N-(4-fluoro-3-methoxyphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 114840609
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63798682
N-[(3-chlorophenyl)methyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796299
3-chloro-N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]thiophene-2-carboxamide
CID 81268460
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 63798145) is N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1sccc1C#CCO.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is YNRPYLKNEPRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-10-4-5-12(16)9-13(10)17-15(19)14-11(3-2-7-18)6-8-20-14/h4-6,8-9,18H,7H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 305.79 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 63798145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).