N-(5-methylhexan-2-yl)thiophene-3-carboxamide

C12H19NOS — CID 134035797

IUPACN-(5-methylhexan-2-yl)thiophene-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-9(2)4-5-10(3)13-12(14)11-6-7-15-8-11/h6-10H,4-5H2,1-3H3,(H,13,14)
InChIKeyYSWSUIMPJNTOPN-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.30
Rot. Bonds5

About N-(5-methylhexan-2-yl)thiophene-3-carboxamide

N-(5-methylhexan-2-yl)thiophene-3-carboxamide (PubChem CID 134035797) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)thiophene-3-carboxamide
PubChem CID134035797
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(5-methylhexan-2-yl)thiophene-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-9(2)4-5-10(3)13-12(14)11-6-7-15-8-11/h6-10H,4-5H2,1-3H3,(H,13,14)
InChIKeyYSWSUIMPJNTOPN-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 47459937
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)thiophene-3-carboxamide (CID 134035797) is N-(5-methylhexan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)thiophene-3-carboxamide is CC(C)CCC(C)NC(=O)c1ccsc1.
What is the InChIKey of N-(5-methylhexan-2-yl)thiophene-3-carboxamide?
The InChIKey is YSWSUIMPJNTOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(2)4-5-10(3)13-12(14)11-6-7-15-8-11/h6-10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-(5-methylhexan-2-yl)thiophene-3-carboxamide?
N-(5-methylhexan-2-yl)thiophene-3-carboxamide has a molecular weight of 225.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 134035797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).