N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide

C15H15ClN2OS — CID 107465805

IUPACN-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H15ClN2OS/c1-18(14-9-11(16)7-8-13(14)17)15(19)10-20-12-5-3-2-4-6-12/h2-9H,10,17H2,1H3
InChIKeyNGHKRXIMSJGZKZ-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.68
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide

N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide (PubChem CID 107465805) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
PubChem CID107465805
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H15ClN2OS/c1-18(14-9-11(16)7-8-13(14)17)15(19)10-20-12-5-3-2-4-6-12/h2-9H,10,17H2,1H3
InChIKeyNGHKRXIMSJGZKZ-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
4-[methyl-(2-phenylsulfanylacetyl)amino]benzoic acid
CID 104698113
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
CID 107465953
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide (CID 107465805) is N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide is CN(C(=O)CSc1ccccc1)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide?
The InChIKey is NGHKRXIMSJGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18(14-9-11(16)7-8-13(14)17)15(19)10-20-12-5-3-2-4-6-12/h2-9H,10,17H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide?
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide has a molecular weight of 306.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 107465805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).