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

C18H20ClNO2S — CID 2634604

IUPAC3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-22-16-6-2-14(3-7-16)10-12-20-18(21)11-13-23-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyWVQOFCPBHXIQRB-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.19
Rot. Bonds8

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

3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 2634604) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID2634604
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-22-16-6-2-14(3-7-16)10-12-20-18(21)11-13-23-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyWVQOFCPBHXIQRB-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]ethyl]benzoate
CID 46530131
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3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
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4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
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N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
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4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
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CID 79017762

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 2634604) is 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is WVQOFCPBHXIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-22-16-6-2-14(3-7-16)10-12-20-18(21)11-13-23-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 349.88 g/mol, XLogP of 4.19, 8 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-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 2634604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).