2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide

C9H11Cl2NO3S — CID 107963443

IUPAC2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO3S/c1-9(15,4-13)3-12-8(14)5-2-6(10)16-7(5)11/h2,13,15H,3-4H2,1H3,(H,12,14)
InChIKeySBELYWDBDUJTAB-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.53
Rot. Bonds4

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

2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide (PubChem CID 107963443) has the molecular formula C9H11Cl2NO3S and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
PubChem CID107963443
Molecular FormulaC9H11Cl2NO3S
Molecular Weight284.16 g/mol
Exact Mass282.98
IUPAC Name2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO3S/c1-9(15,4-13)3-12-8(14)5-2-6(10)16-7(5)11/h2,13,15H,3-4H2,1H3,(H,12,14)
InChIKeySBELYWDBDUJTAB-UHFFFAOYSA-N
XLogP1.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 107959662
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
2-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113352909
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide (CID 107963443) is 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide is CC(O)(CO)CNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide?
The InChIKey is SBELYWDBDUJTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S/c1-9(15,4-13)3-12-8(14)5-2-6(10)16-7(5)11/h2,13,15H,3-4H2,1H3,(H,12,14).
What are the key properties of 2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.53, 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-dihydroxy-2-methylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 107963443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).