2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide

C19H21ClN2O2S — CID 55835206

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-12(15-5-4-6-16(20)11-15)21-19(24)13(2)25-18-9-7-17(8-10-18)22-14(3)23/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyGUYAUZINJXVWMR-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.66
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide (PubChem CID 55835206) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide
PubChem CID55835206
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-12(15-5-4-6-16(20)11-15)21-19(24)13(2)25-18-9-7-17(8-10-18)22-14(3)23/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyGUYAUZINJXVWMR-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55830250
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
(E)-4-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-2-methyl-4-oxobut-2-enoic acid
CID 124658145
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506394
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide (CID 55835206) is 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide is CC(=O)Nc1ccc(SC(C)C(=O)NC(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is GUYAUZINJXVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-12(15-5-4-6-16(20)11-15)21-19(24)13(2)25-18-9-7-17(8-10-18)22-14(3)23/h4-13H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 376.91 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[1-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 55835206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).