N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide

C16H17ClN2OS — CID 4784859

IUPACN-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2OS/c1-3-11(2)19-15(20)14-5-4-10-18-16(14)21-13-8-6-12(17)7-9-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyABMDZOJVUFHOJW-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.41
Rot. Bonds5

About N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide

N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide (PubChem CID 4784859) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
PubChem CID4784859
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2OS/c1-3-11(2)19-15(20)14-5-4-10-18-16(14)21-13-8-6-12(17)7-9-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyABMDZOJVUFHOJW-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 33275524
2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
CID 6975832
N-[3-(4-chloroanilino)sulfanyl-4-fluorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 156859919
[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-propan-2-ylcarbamate
CID 1476629
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790591
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 4130449
N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 2558790

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide (CID 4784859) is N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide is CCC(C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is ABMDZOJVUFHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-3-11(2)19-15(20)14-5-4-10-18-16(14)21-13-8-6-12(17)7-9-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4784859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).