N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide

C15H15ClN2OS — CID 43105108

IUPACN-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H15ClN2OS/c1-10(20-12-8-6-11(16)7-9-12)15(19)18-14-5-3-2-4-13(14)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyHALZOBWYKIOKOU-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.04
Rot. Bonds4

About N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide

N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 43105108) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID43105108
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H15ClN2OS/c1-10(20-12-8-6-11(16)7-9-12)15(19)18-14-5-3-2-4-13(14)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyHALZOBWYKIOKOU-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

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
CID 134037936
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide (CID 43105108) is N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is HALZOBWYKIOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10(20-12-8-6-11(16)7-9-12)15(19)18-14-5-3-2-4-13(14)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide 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-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 43105108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).