(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide

C20H25NOS — CID 93487870

IUPAC(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS/c1-15(2)14-19(17-10-6-4-7-11-17)21-20(22)16(3)23-18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3,(H,21,22)/t16-,19+/m1/s1
InChIKeyFAGCYJWODLHZBZ-APWZRJJASA-N
MW327.49 g/mol
LogP5.07
Rot. Bonds7

About (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide

(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide (PubChem CID 93487870) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide
PubChem CID93487870
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS/c1-15(2)14-19(17-10-6-4-7-11-17)21-20(22)16(3)23-18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3,(H,21,22)/t16-,19+/m1/s1
InChIKeyFAGCYJWODLHZBZ-APWZRJJASA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28565969
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 94012975
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019240
2-(4-chlorophenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 46771833
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide (CID 93487870) is (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide is CC(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide?
The InChIKey is FAGCYJWODLHZBZ-APWZRJJASA-N. The full InChI is InChI=1S/C20H25NOS/c1-15(2)14-19(17-10-6-4-7-11-17)21-20(22)16(3)23-18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3,(H,21,22)/t16-,19+/m1/s1.
What are the key properties of (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide?
(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide has a molecular weight of 327.49 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 93487870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).