N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide

C15H15ClN2OS — CID 70625796

IUPACN-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cc(Sc2ccc(Cl)cc2C)ccc1N
InChIInChI=1S/C15H15ClN2OS/c1-9-7-11(16)3-6-15(9)20-12-4-5-13(17)14(8-12)18-10(2)19/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKKAUWRGNRVYHBL-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.34
Rot. Bonds3

About N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide

N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide (PubChem CID 70625796) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
PubChem CID70625796
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cc(Sc2ccc(Cl)cc2C)ccc1N
InChIInChI=1S/C15H15ClN2OS/c1-9-7-11(16)3-6-15(9)20-12-4-5-13(17)14(8-12)18-10(2)19/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKKAUWRGNRVYHBL-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.34
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

4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide
CID 70626501
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
CID 20567278
N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
CID 70626300
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
1-[3-amino-4-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 82177453
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
CID 18072338
3-acetamido-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-fluorobenzamide
CID 60567516

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide (CID 70625796) is N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide is CC(=O)Nc1cc(Sc2ccc(Cl)cc2C)ccc1N.
What is the InChIKey of N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide?
The InChIKey is KKAUWRGNRVYHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-9-7-11(16)3-6-15(9)20-12-4-5-13(17)14(8-12)18-10(2)19/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide?
N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide has a molecular weight of 306.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 70625796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).