(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C20H25NO2S — CID 8907596

IUPAC(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C20H25NO2S/c1-5-14(2)18-8-6-7-9-19(18)21-20(22)15(3)24-17-12-10-16(23-4)11-13-17/h6-15H,5H2,1-4H3,(H,21,22)/t14-,15+/m1/s1
InChIKeyAFJHZAHSBLNPPN-CABCVRRESA-N
MW343.49 g/mol
LogP5.33
Rot. Bonds7

About (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide

(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 8907596) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID8907596
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C20H25NO2S/c1-5-14(2)18-8-6-7-9-19(18)21-20(22)15(3)24-17-12-10-16(23-4)11-13-17/h6-15H,5H2,1-4H3,(H,21,22)/t14-,15+/m1/s1
InChIKeyAFJHZAHSBLNPPN-CABCVRRESA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7284399
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7896701
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550179
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 55870545
(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28631658
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8905168
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873514

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 8907596) is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is AFJHZAHSBLNPPN-CABCVRRESA-N. The full InChI is InChI=1S/C20H25NO2S/c1-5-14(2)18-8-6-7-9-19(18)21-20(22)15(3)24-17-12-10-16(23-4)11-13-17/h6-15H,5H2,1-4H3,(H,21,22)/t14-,15+/m1/s1.
What are the key properties of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 343.49 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 8907596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).