(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

C20H24N2O2S — CID 25496828

IUPAC(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O2S/c1-12-10-13(2)19(14(3)11-12)25-15(4)20(24)22-18-8-6-17(7-9-18)21-16(5)23/h6-11,15H,1-5H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyHQUPBAROSSXJHX-HNNXBMFYSA-N
MW356.49 g/mol
LogP4.69
Rot. Bonds5

About (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (PubChem CID 25496828) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
PubChem CID25496828
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O2S/c1-12-10-13(2)19(14(3)11-12)25-15(4)20(24)22-18-8-6-17(7-9-18)21-16(5)23/h6-11,15H,1-5H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyHQUPBAROSSXJHX-HNNXBMFYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
(2R)-N-(4-acetamidophenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8827394
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7468566
N-[4-[1-(2,4,6-trimethylphenyl)ethylamino]phenyl]acetamide
CID 43824765
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 17427781
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (CID 25496828) is (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The InChIKey is HQUPBAROSSXJHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-12-10-13(2)19(14(3)11-12)25-15(4)20(24)22-18-8-6-17(7-9-18)21-16(5)23/h6-11,15H,1-5H3,(H,21,23)(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide has a molecular weight of 356.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 25496828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).