3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide

C17H18ClNO2S — CID 71412597

IUPAC3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(CCl)Sc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-17(12-18,22-15-6-4-3-5-7-15)16(20)19-13-8-10-14(21-2)11-9-13/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyVKDIUBJQHCSIFP-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.42
Rot. Bonds6

About 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide

3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide (PubChem CID 71412597) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide
PubChem CID71412597
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(CCl)Sc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-17(12-18,22-15-6-4-3-5-7-15)16(20)19-13-8-10-14(21-2)11-9-13/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyVKDIUBJQHCSIFP-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210
N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 20712298
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide (CID 71412597) is 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide is COc1ccc(NC(=O)C(C)(CCl)Sc2ccccc2)cc1.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide?
The InChIKey is VKDIUBJQHCSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-17(12-18,22-15-6-4-3-5-7-15)16(20)19-13-8-10-14(21-2)11-9-13/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide?
3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide has a molecular weight of 335.86 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 71412597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).