(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide

C18H21NO2S — CID 92675964

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-13-5-4-6-15(11-13)12-19-18(20)14(2)22-17-9-7-16(21-3)8-10-17/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyDZNVKUDGDFLENY-AWEZNQCLSA-N
MW315.44 g/mol
LogP3.80
Rot. Bonds6

About (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 92675964) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
PubChem CID92675964
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-13-5-4-6-15(11-13)12-19-18(20)14(2)22-17-9-7-16(21-3)8-10-17/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyDZNVKUDGDFLENY-AWEZNQCLSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[3-[[2-(4-methoxyphenyl)sulfanylpropanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55904243
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
2-(4-acetamidophenyl)sulfanyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
CID 55957415
2-benzyl-3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119233672
(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 92801483
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide (CID 92675964) is (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide is COc1ccc(S[C@@H](C)C(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is DZNVKUDGDFLENY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-5-4-6-15(11-13)12-19-18(20)14(2)22-17-9-7-16(21-3)8-10-17/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide?
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 92675964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).