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

C18H19ClN2O2S — CID 55325957

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-12(14-3-5-15(19)6-4-14)20-18(23)11-24-17-9-7-16(8-10-17)21-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySMSUSLRGQKHLTK-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.27
Rot. Bonds6

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

2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 55325957) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID55325957
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-12(14-3-5-15(19)6-4-14)20-18(23)11-24-17-9-7-16(8-10-17)21-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySMSUSLRGQKHLTK-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 16540605
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 55325957) is 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(=O)Nc1ccc(SCC(=O)NC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is SMSUSLRGQKHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12(14-3-5-15(19)6-4-14)20-18(23)11-24-17-9-7-16(8-10-17)21-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 362.88 g/mol, XLogP of 4.27, 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-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 55325957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).