(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide

C18H20N2O2S — CID 2113012

IUPAC(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12-4-6-16(7-5-12)20-18(22)13(2)23-17-10-8-15(9-11-17)19-14(3)21/h4-11,13H,1-3H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyASEQUVVHAWLRAW-CYBMUJFWSA-N
MW328.44 g/mol
LogP4.07
Rot. Bonds5

About (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide (PubChem CID 2113012) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
PubChem CID2113012
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12-4-6-16(7-5-12)20-18(22)13(2)23-17-10-8-15(9-11-17)19-14(3)21/h4-11,13H,1-3H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyASEQUVVHAWLRAW-CYBMUJFWSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
S-[4-[2-(4-acetamidophenyl)sulfanylpropanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56576789
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
(2S)-2-(4-methylphenyl)sulfanyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 9429388

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide (CID 2113012) is (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide is CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide?
The InChIKey is ASEQUVVHAWLRAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-4-6-16(7-5-12)20-18(22)13(2)23-17-10-8-15(9-11-17)19-14(3)21/h4-11,13H,1-3H3,(H,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide?
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide has a molecular weight of 328.44 g/mol, XLogP of 4.07, 5 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-(4-methylphenyl)propanamide is sourced from PubChem (CID 2113012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).