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

C18H20ClNO2S — CID 26618385

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-13(16-5-3-4-6-17(16)22-2)20-18(21)11-12-23-15-9-7-14(19)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyPNEAVWVKWJSLBF-CYBMUJFWSA-N
MW349.88 g/mol
LogP4.71
Rot. Bonds7

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

3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 26618385) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID26618385
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-13(16-5-3-4-6-17(16)22-2)20-18(21)11-12-23-15-9-7-14(19)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyPNEAVWVKWJSLBF-CYBMUJFWSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47010932
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132652863
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide (CID 26618385) is 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is PNEAVWVKWJSLBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-13(16-5-3-4-6-17(16)22-2)20-18(21)11-12-23-15-9-7-14(19)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 349.88 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 26618385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).