(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C17H19NO3S — CID 26649421

IUPAC(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(22-16-9-7-14(20-2)8-10-16)17(19)18-13-5-4-6-15(11-13)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyVQHJYTYJNYUNNI-LBPRGKRZSA-N
MW317.41 g/mol
LogP3.82
Rot. Bonds6

About (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 26649421) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID26649421
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(22-16-9-7-14(20-2)8-10-16)17(19)18-13-5-4-6-15(11-13)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyVQHJYTYJNYUNNI-LBPRGKRZSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
methyl 3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 92672238
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(3-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316292
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9034173
dimethyl 5-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 32676593
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43909486
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
2-(4-methoxyphenyl)sulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 55991056

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 26649421) is (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is VQHJYTYJNYUNNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(22-16-9-7-14(20-2)8-10-16)17(19)18-13-5-4-6-15(11-13)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 26649421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).