(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide

C19H21NO2S — CID 100753368

IUPAC(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(C)=O)cc1
InChIInChI=1S/C19H21NO2S/c1-4-15-9-11-16(12-10-15)20-19(22)14(3)23-18-8-6-5-7-17(18)13(2)21/h5-12,14H,4H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyDDCGAKPAUJZOBB-AWEZNQCLSA-N
MW327.45 g/mol
LogP4.57
Rot. Bonds6

About (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide

(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide (PubChem CID 100753368) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide
PubChem CID100753368
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(C)=O)cc1
InChIInChI=1S/C19H21NO2S/c1-4-15-9-11-16(12-10-15)20-19(22)14(3)23-18-8-6-5-7-17(18)13(2)21/h5-12,14H,4H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyDDCGAKPAUJZOBB-AWEZNQCLSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
2-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 25489399
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide
CID 7865177
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
(2S)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 2581707
N-(4-ethylphenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 17403660
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7895374
(2S)-N-(4-ethylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557431
N-(4-ethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318031
(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552583
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
CID 8632160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide (CID 100753368) is (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(C)=O)cc1.
What is the InChIKey of (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide?
The InChIKey is DDCGAKPAUJZOBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-4-15-9-11-16(12-10-15)20-19(22)14(3)23-18-8-6-5-7-17(18)13(2)21/h5-12,14H,4H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide?
(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide has a molecular weight of 327.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 100753368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).