2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

C17H18ClNO3S — CID 55417451

IUPAC2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3S/c1-11(23-16-7-5-4-6-13(16)18)17(20)19-12-8-9-14(21-2)15(10-12)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyKDEXEYXRMSVZOJ-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 55417451) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID55417451
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3S/c1-11(23-16-7-5-4-6-13(16)18)17(20)19-12-8-9-14(21-2)15(10-12)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyKDEXEYXRMSVZOJ-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8859309
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 134037507
(2S)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94027073
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
2-[(2-bromophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide
CID 55421366
N-(3-chloro-4-methoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 43022541
N-[3-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902664
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide (CID 55417451) is 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Sc2ccccc2Cl)cc1OC.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is KDEXEYXRMSVZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-11(23-16-7-5-4-6-13(16)18)17(20)19-12-8-9-14(21-2)15(10-12)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 351.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 55417451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).