N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide

C14H12ClN3O2S — CID 43299698

IUPACN-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
SMILESNc1cnccc1SCC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O2S/c15-10-3-1-9(2-4-10)14(20)18-13(19)8-21-12-5-6-17-7-11(12)16/h1-7H,8,16H2,(H,18,19,20)
InChIKeyOVBPVPRSDJCPNP-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.37
Rot. Bonds4

About N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide

N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide (PubChem CID 43299698) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
PubChem CID43299698
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
SMILESNc1cnccc1SCC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O2S/c15-10-3-1-9(2-4-10)14(20)18-13(19)8-21-12-5-6-17-7-11(12)16/h1-7H,8,16H2,(H,18,19,20)
InChIKeyOVBPVPRSDJCPNP-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 43299833
N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
CID 43250778
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
3-[2-[(4-chlorobenzoyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43091583

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide (CID 43299698) is N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide is Nc1cnccc1SCC(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide?
The InChIKey is OVBPVPRSDJCPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-10-3-1-9(2-4-10)14(20)18-13(19)8-21-12-5-6-17-7-11(12)16/h1-7H,8,16H2,(H,18,19,20).
What are the key properties of N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide?
N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide has a molecular weight of 321.79 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide is sourced from PubChem (CID 43299698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).