5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide

C10H11ClN2OS — CID 63941006

IUPAC5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)C(C#N)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2OS/c1-6(2)7(5-12)13-10(14)8-3-4-9(11)15-8/h3-4,6-7H,1-2H3,(H,13,14)
InChIKeyRILINLNEPWAVRK-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.68
Rot. Bonds3

About 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide

5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide (PubChem CID 63941006) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
PubChem CID63941006
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)C(C#N)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2OS/c1-6(2)7(5-12)13-10(14)8-3-4-9(11)15-8/h3-4,6-7H,1-2H3,(H,13,14)
InChIKeyRILINLNEPWAVRK-UHFFFAOYSA-N
XLogP2.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-cyanothiophene-2-carboxamide
CID 79194794
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
5-chloro-N-(1-cyano-2-methylpropyl)-2-methylbenzamide
CID 113329999
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide (CID 63941006) is 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide is CC(C)C(C#N)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is RILINLNEPWAVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6(2)7(5-12)13-10(14)8-3-4-9(11)15-8/h3-4,6-7H,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide?
5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 242.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 63941006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).