N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide

C15H13Cl2NOS — CID 107021867

IUPACN-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(S)Cc1ccccc1
InChIInChI=1S/C15H13Cl2NOS/c16-11-7-4-8-12(14(11)17)18-15(19)13(20)9-10-5-2-1-3-6-10/h1-8,13,20H,9H2,(H,18,19)
InChIKeyAISMIHGPFRYZQS-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.47
Rot. Bonds4

About N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide

N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107021867) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107021867
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC NameN-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(S)Cc1ccccc1
InChIInChI=1S/C15H13Cl2NOS/c16-11-7-4-8-12(14(11)17)18-15(19)13(20)9-10-5-2-1-3-6-10/h1-8,13,20H,9H2,(H,18,19)
InChIKeyAISMIHGPFRYZQS-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
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N-(2-chloro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
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N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107531677
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
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CID 28508177
3-amino-4-(2,3-dichloroanilino)-4-oxobutanoic acid
CID 64897220
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
CID 107028642
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
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N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide (CID 107021867) is N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide is O=C(Nc1cccc(Cl)c1Cl)C(S)Cc1ccccc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is AISMIHGPFRYZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c16-11-7-4-8-12(14(11)17)18-15(19)13(20)9-10-5-2-1-3-6-10/h1-8,13,20H,9H2,(H,18,19).
What are the key properties of N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide?
N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 326.25 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107021867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).