N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C15H17ClN2OS — CID 46997041

IUPACN-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCCC(C)N(Cc1ccncc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-3-11(2)18(10-12-6-8-17-9-7-12)15(19)13-4-5-14(16)20-13/h4-9,11H,3,10H2,1-2H3
InChIKeyJRGSDGUTLKESKC-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.24
Rot. Bonds5

About N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 46997041) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID46997041
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCCC(C)N(Cc1ccncc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-3-11(2)18(10-12-6-8-17-9-7-12)15(19)13-4-5-14(16)20-13/h4-9,11H,3,10H2,1-2H3
InChIKeyJRGSDGUTLKESKC-UHFFFAOYSA-N
XLogP4.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62051633
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
N-benzyl-N-butan-2-yl-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625516
5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
CID 59611644
N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 104556229
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
3-[(5-chlorothiophene-2-carbonyl)-methylamino]butanoic acid
CID 110836897
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
CID 103817289
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
benzyl(butan-2-yl)carbamic acid
CID 18954164

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 46997041) is N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is CCC(C)N(Cc1ccncc1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JRGSDGUTLKESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-11(2)18(10-12-6-8-17-9-7-12)15(19)13-4-5-14(16)20-13/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46997041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).