2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide

C10H13Cl2NOS — CID 17409200

IUPAC2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-5(2)6(3)13-10(14)7-4-8(11)15-9(7)12/h4-6H,1-3H3,(H,13,14)
InChIKeyTULMJWPDSXYSAZ-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.83
Rot. Bonds3

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

2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 17409200) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID17409200
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-5(2)6(3)13-10(14)7-4-8(11)15-9(7)12/h4-6H,1-3H3,(H,13,14)
InChIKeyTULMJWPDSXYSAZ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 103628563
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
CID 103798696
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107966093
1-(2,5-dichlorothiophen-3-yl)-2,3,3-trimethylbutan-1-one
CID 130871355
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 107965162
2-[(2,5-dichlorothiophene-3-carbonyl)amino]butanedioic acid
CID 114020996
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide (CID 17409200) is 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide is CC(C)C(C)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is TULMJWPDSXYSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-5(2)6(3)13-10(14)7-4-8(11)15-9(7)12/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 266.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 17409200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).