N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide

C15H15ClN2OS — CID 43107317

IUPACN-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-8-7-11(17)9-13(14)16/h2-10H,17H2,1H3,(H,18,19)
InChIKeyIPHMSYVKKHSQCU-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.04
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide

N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide (PubChem CID 43107317) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
PubChem CID43107317
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-8-7-11(17)9-13(14)16/h2-10H,17H2,1H3,(H,18,19)
InChIKeyIPHMSYVKKHSQCU-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.04
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-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
CID 17460927
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide (CID 43107317) is N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is IPHMSYVKKHSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-8-7-11(17)9-13(14)16/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide?
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 306.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 43107317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).