2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide

C8H9Cl2NO3S — CID 103825906

IUPAC2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)CO)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO3S/c9-6-1-5(7(10)15-6)8(14)11-2-4(13)3-12/h1,4,12-13H,2-3H2,(H,11,14)
InChIKeyUVJXISXECGWZEU-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.14
Rot. Bonds4

About 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide

2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide (PubChem CID 103825906) has the molecular formula C8H9Cl2NO3S and a molecular weight of 270.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
PubChem CID103825906
Molecular FormulaC8H9Cl2NO3S
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC Name2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)CO)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO3S/c9-6-1-5(7(10)15-6)8(14)11-2-4(13)3-12/h1,4,12-13H,2-3H2,(H,11,14)
InChIKeyUVJXISXECGWZEU-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
CID 111447072
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide
CID 95787933
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 81233183
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 107963443

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide (CID 103825906) is 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide is O=C(NCC(O)CO)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide?
The InChIKey is UVJXISXECGWZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO3S/c9-6-1-5(7(10)15-6)8(14)11-2-4(13)3-12/h1,4,12-13H,2-3H2,(H,11,14).
What are the key properties of 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide has a molecular weight of 270.14 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 103825906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).