2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide

C18H19ClN2O2S — CID 86929881

IUPAC2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C18H19ClN2O2S/c1-12(24-14-10-8-13(19)9-11-14)17(22)20-16-7-5-4-6-15(16)18(23)21(2)3/h4-12H,1-3H3,(H,20,22)
InChIKeyYTDJXBFOIARILW-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.16
Rot. Bonds5

About 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide

2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide (PubChem CID 86929881) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
PubChem CID86929881
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C18H19ClN2O2S/c1-12(24-14-10-8-13(19)9-11-14)17(22)20-16-7-5-4-6-15(16)18(23)21(2)3/h4-12H,1-3H3,(H,20,22)
InChIKeyYTDJXBFOIARILW-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
CID 134037936
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 18109178
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
methyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115619
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 4849041

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide (CID 86929881) is 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The InChIKey is YTDJXBFOIARILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12(24-14-10-8-13(19)9-11-14)17(22)20-16-7-5-4-6-15(16)18(23)21(2)3/h4-12H,1-3H3,(H,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide has a molecular weight of 362.88 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 86929881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).