(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

C20H25NO2S — CID 94013079

IUPAC(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(9-10-17-7-5-4-6-8-17)21-20(22)16(2)24-19-13-11-18(23-3)12-14-19/h4-8,11-16H,9-10H2,1-3H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyABPSPAFOMLNLIZ-HZPDHXFCSA-N
MW343.49 g/mol
LogP4.31
Rot. Bonds8

About (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 94013079) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID94013079
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(9-10-17-7-5-4-6-8-17)21-20(22)16(2)24-19-13-11-18(23-3)12-14-19/h4-8,11-16H,9-10H2,1-3H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyABPSPAFOMLNLIZ-HZPDHXFCSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
(2R)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 119368545
2-benzyl-3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119233672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 94013079) is (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide is COc1ccc(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is ABPSPAFOMLNLIZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(9-10-17-7-5-4-6-8-17)21-20(22)16(2)24-19-13-11-18(23-3)12-14-19/h4-8,11-16H,9-10H2,1-3H3,(H,21,22)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 343.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 94013079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).