2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide

C12H9Cl2NO2S — CID 103605214

IUPAC2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-10-5-9(11(14)18-10)12(17)15-8-3-1-2-7(4-8)6-16/h1-5,16H,6H2,(H,15,17)
InChIKeyJZXSBXWQTUKMQQ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds3

About 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide

2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide (PubChem CID 103605214) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
PubChem CID103605214
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-10-5-9(11(14)18-10)12(17)15-8-3-1-2-7(4-8)6-16/h1-5,16H,6H2,(H,15,17)
InChIKeyJZXSBXWQTUKMQQ-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[3-(3-chloropropyl)phenyl]thiophene-3-carboxamide
CID 107966234
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
CID 60630083
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103604554
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 110877152
N-[3-(hydroxymethyl)phenyl]-2,3,5-triiodobenzamide
CID 60629840
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide (CID 103605214) is 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide is O=C(Nc1cccc(CO)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is JZXSBXWQTUKMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c13-10-5-9(11(14)18-10)12(17)15-8-3-1-2-7(4-8)6-16/h1-5,16H,6H2,(H,15,17).
What are the key properties of 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide?
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 302.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 103605214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).