N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide

C13H11ClN2OS — CID 113238219

IUPACN-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnccc1Cl
InChIInChI=1S/C13H11ClN2OS/c14-11-6-7-15-8-12(11)16-13(17)9-18-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyHMANCUGNPAZXBP-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.47
Rot. Bonds4

About N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide

N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide (PubChem CID 113238219) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
PubChem CID113238219
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC NameN-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnccc1Cl
InChIInChI=1S/C13H11ClN2OS/c14-11-6-7-15-8-12(11)16-13(17)9-18-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyHMANCUGNPAZXBP-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
CID 114258787
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
CID 113253382
4-[(4-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 83165894
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
N-(4-chloro-3-pyridinyl)-5-hydroxypentanamide
CID 83166682
N-(4-chloro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 113236705
N-(2-chlorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712782

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide (CID 113238219) is N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide?
The InChIKey is HMANCUGNPAZXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-11-6-7-15-8-12(11)16-13(17)9-18-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide?
N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide has a molecular weight of 278.76 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 113238219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).