(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide

C17H19NO3S — CID 92674042

IUPAC(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3S/c1-12(17(19)18-13-7-5-4-6-8-13)22-14-9-10-15(20-2)16(11-14)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyQUOACVUBXBPJHW-LBPRGKRZSA-N
MW317.41 g/mol
LogP3.82
Rot. Bonds6

About (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide (PubChem CID 92674042) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
PubChem CID92674042
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3S/c1-12(17(19)18-13-7-5-4-6-8-13)22-14-9-10-15(20-2)16(11-14)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyQUOACVUBXBPJHW-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

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
(2R)-N-(3-acetylphenyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 30400035
2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46763374
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 43876035
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956456
(2S)-N-(4-butylphenyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94027359
4-tert-butyl-N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]phenyl]benzamide
CID 28570664
ethyl 3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate
CID 46769416
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 94019708
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide (CID 92674042) is (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide is COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide?
The InChIKey is QUOACVUBXBPJHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(17(19)18-13-7-5-4-6-8-13)22-14-9-10-15(20-2)16(11-14)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide?
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide 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)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 92674042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).