2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide

C15H11Cl2NO2S — CID 107963956

IUPAC2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide
SMILESCc1ccc(C#CCO)c(NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C15H11Cl2NO2S/c1-9-4-5-10(3-2-6-19)12(7-9)18-15(20)11-8-13(16)21-14(11)17/h4-5,7-8,19H,6H2,1H3,(H,18,20)
InChIKeyYMMMAVDRDPNPDV-UHFFFAOYSA-N
MW340.23 g/mol
LogP3.96
Rot. Bonds2

About 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide (PubChem CID 107963956) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide
PubChem CID107963956
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC Name2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide
SMILESCc1ccc(C#CCO)c(NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C15H11Cl2NO2S/c1-9-4-5-10(3-2-6-19)12(7-9)18-15(20)11-8-13(16)21-14(11)17/h4-5,7-8,19H,6H2,1H3,(H,18,20)
InChIKeyYMMMAVDRDPNPDV-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 53.96
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-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111785
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiadiazole-5-carboxamide
CID 82766896
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 82767195
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
CID 82766895
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclobutanecarboxamide
CID 82767269
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide (CID 107963956) is 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide is Cc1ccc(C#CCO)c(NC(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide?
The InChIKey is YMMMAVDRDPNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c1-9-4-5-10(3-2-6-19)12(7-9)18-15(20)11-8-13(16)21-14(11)17/h4-5,7-8,19H,6H2,1H3,(H,18,20).
What are the key properties of 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide?
2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide has a molecular weight of 340.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 107963956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).