N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C16H14ClNO2S — CID 79690067

IUPACN-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(C#CCO)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClNO2S/c1-11(14-6-2-3-7-15(14)17)18-16(20)12-9-13(21-10-12)5-4-8-19/h2-3,6-7,9-11,19H,8H2,1H3,(H,18,20)
InChIKeyMHBMHCNMWUVMPN-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 79690067) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID79690067
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(C#CCO)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClNO2S/c1-11(14-6-2-3-7-15(14)17)18-16(20)12-9-13(21-10-12)5-4-8-19/h2-3,6-7,9-11,19H,8H2,1H3,(H,18,20)
InChIKeyMHBMHCNMWUVMPN-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.24
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

5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
5-(3-hydroxyprop-1-ynyl)-N-[1-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79696788
N-heptan-2-yl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696487
N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79693097
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
CID 79691515
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
CID 79696529
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-(5-chloro-2-pyridinyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696754
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 79690067) is N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is CC(NC(=O)c1csc(C#CCO)c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is MHBMHCNMWUVMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-11(14-6-2-3-7-15(14)17)18-16(20)12-9-13(21-10-12)5-4-8-19/h2-3,6-7,9-11,19H,8H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 319.81 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 79690067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).