2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide

C10H13Cl2NO2S2 — CID 103798696

IUPAC2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO2S2/c1-5(7(4-14)16-2)13-10(15)6-3-8(11)17-9(6)12/h3,5,7,14H,4H2,1-2H3,(H,13,15)
InChIKeyLLBYKCMAZATRAO-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.90
Rot. Bonds5

About 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide

2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 103798696) has the molecular formula C10H13Cl2NO2S2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
PubChem CID103798696
Molecular FormulaC10H13Cl2NO2S2
Molecular Weight314.26 g/mol
Exact Mass312.98
IUPAC Name2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO2S2/c1-5(7(4-14)16-2)13-10(15)6-3-8(11)17-9(6)12/h3,5,7,14H,4H2,1-2H3,(H,13,15)
InChIKeyLLBYKCMAZATRAO-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 103798853
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
4-chloro-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798690
5-bromo-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798744
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
2,3,4,5-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103867152
4,5-difluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 106155652
2-amino-3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150718
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 114150699
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103801419

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide (CID 103798696) is 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide is CSC(CO)C(C)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is LLBYKCMAZATRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S2/c1-5(7(4-14)16-2)13-10(15)6-3-8(11)17-9(6)12/h3,5,7,14H,4H2,1-2H3,(H,13,15).
What are the key properties of 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103798696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).