N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide

C15H13ClN2O2S — CID 43250778

IUPACN-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
SMILESNc1cc(Cl)ccc1SCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O2S/c16-11-6-7-13(12(17)8-11)21-9-14(19)18-15(20)10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19,20)
InChIKeyCCQBUTZCZNCXHV-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide

N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide (PubChem CID 43250778) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
PubChem CID43250778
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
SMILESNc1cc(Cl)ccc1SCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O2S/c16-11-6-7-13(12(17)8-11)21-9-14(19)18-15(20)10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19,20)
InChIKeyCCQBUTZCZNCXHV-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
N-[2-(4-amino-3-chlorophenyl)sulfanylacetyl]benzamide
CID 79130535
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
CID 43299698
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-(2-amino-4-chlorophenyl)sulfanyl-2-phenylpropanoic acid
CID 64565605
2-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzoic acid
CID 61319450
3-amino-N-methyl-4-[2-(methylamino)-2-oxoethyl]sulfanylbenzamide
CID 114231695
3-(2-amino-4-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 61319859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide?
The IUPAC name of N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide (CID 43250778) is N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide.
What is the SMILES notation for N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide?
The canonical SMILES for N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide is Nc1cc(Cl)ccc1SCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide?
The InChIKey is CCQBUTZCZNCXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-11-6-7-13(12(17)8-11)21-9-14(19)18-15(20)10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19,20).
What are the key properties of N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide?
N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide has a molecular weight of 320.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide is sourced from PubChem (CID 43250778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).