(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide

C20H24N2O2S — CID 8948623

IUPAC(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-13(2)18-7-5-6-8-19(18)22-20(24)14(3)25-17-11-9-16(10-12-17)21-15(4)23/h5-14H,1-4H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyZELSQJMGJZENRS-CQSZACIVSA-N
MW356.49 g/mol
LogP4.89
Rot. Bonds6

About (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 8948623) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID8948623
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-13(2)18-7-5-6-8-19(18)22-20(24)14(3)25-17-11-9-16(10-12-17)21-15(4)23/h5-14H,1-4H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyZELSQJMGJZENRS-CQSZACIVSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7284399
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
S-[4-[2-(4-acetamidophenyl)sulfanylpropanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56576789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide (CID 8948623) is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide is CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is ZELSQJMGJZENRS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13(2)18-7-5-6-8-19(18)22-20(24)14(3)25-17-11-9-16(10-12-17)21-15(4)23/h5-14H,1-4H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 356.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).