N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide

C14H13ClN2OS — CID 70626501

IUPACN-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccccc2Cl)cc1N
InChIInChI=1S/C14H13ClN2OS/c1-9(18)17-13-7-6-10(8-12(13)16)19-14-5-3-2-4-11(14)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyYEYCFKYWLKKIPA-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.03
Rot. Bonds3

About N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide

N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 70626501) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID70626501
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccccc2Cl)cc1N
InChIInChI=1S/C14H13ClN2OS/c1-9(18)17-13-7-6-10(8-12(13)16)19-14-5-3-2-4-11(14)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyYEYCFKYWLKKIPA-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
CID 70625796
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
3-(2-chlorophenyl)sulfanylbenzoic acid
CID 15727816
1-[2-amino-4-(2-methylphenyl)sulfanylphenyl]ethanone
CID 104529441
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
CID 70625641
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
1-(2-chlorophenyl)sulfanyl-3,5-dimethylbenzene
CID 12026855
N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
CID 10089576
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide (CID 70626501) is N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccccc2Cl)cc1N.
What is the InChIKey of N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is YEYCFKYWLKKIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9(18)17-13-7-6-10(8-12(13)16)19-14-5-3-2-4-11(14)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide?
N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 292.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 70626501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).