N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide

C19H15ClN2OS — CID 3915320

IUPACN-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1ncccc1Cl)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClN2OS/c20-16-12-7-13-21-18(16)22-19(23)17(14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13,17H,(H,21,22,23)
InChIKeyNBSRSDRLYKIACS-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.21
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide

N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 3915320) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID3915320
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC NameN-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1ncccc1Cl)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClN2OS/c20-16-12-7-13-21-18(16)22-19(23)17(14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13,17H,(H,21,22,23)
InChIKeyNBSRSDRLYKIACS-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide
CID 690117
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
2,2-dichloro-N-(5-chloro-2-pyridinyl)-3-phenylcyclopropanecarboxamide
CID 3120148
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylsulfanylbenzamide
CID 44565740
3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-N-(5-chloro-2-pyridinyl)-4-fluorobenzamide
CID 164625029
N-(5-chloropyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 891155
2-(4-chlorophenyl)-N-(4-chloropyridin-2-yl)acetamide
CID 898875

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide (CID 3915320) is N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1ncccc1Cl)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is NBSRSDRLYKIACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-16-12-7-13-21-18(16)22-19(23)17(14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13,17H,(H,21,22,23).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 354.86 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 3915320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).