N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide

C15H13Cl2NOS — CID 2955781

IUPACN-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NOS/c1-10(20-11-6-3-2-4-7-11)15(19)18-13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19)
InChIKeyNYXKNLXCZHRSLZ-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.11
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide

N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide (PubChem CID 2955781) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
PubChem CID2955781
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC NameN-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NOS/c1-10(20-11-6-3-2-4-7-11)15(19)18-13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19)
InChIKeyNYXKNLXCZHRSLZ-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
N-(2,3-dichlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316264
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 22786254
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
CID 17460927
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide (CID 2955781) is N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is NYXKNLXCZHRSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-10(20-11-6-3-2-4-7-11)15(19)18-13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19).
What are the key properties of N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide?
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 326.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2955781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).