2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide

C18H24N2O2S — CID 8819689

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(NC(C)=O)cc1)C1=CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-3-20(16-7-5-4-6-8-16)18(22)13-23-17-11-9-15(10-12-17)19-14(2)21/h7,9-12H,3-6,8,13H2,1-2H3,(H,19,21)
InChIKeySUFROSNVQNGIAP-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide

2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 8819689) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID8819689
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(NC(C)=O)cc1)C1=CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-3-20(16-7-5-4-6-8-16)18(22)13-23-17-11-9-15(10-12-17)19-14(2)21/h7,9-12H,3-6,8,13H2,1-2H3,(H,19,21)
InChIKeySUFROSNVQNGIAP-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
CID 71899005
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
CID 42970232
(2R)-2-acetamido-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 107774673
2-(4-acetamidophenyl)sulfanyl-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 16550849
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79027227
N-(cyclopenten-1-yl)-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682857
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8004542
N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide
CID 8791474
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020
(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031259
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 18207319

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 8819689) is 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1ccc(NC(C)=O)cc1)C1=CCCCC1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is SUFROSNVQNGIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-20(16-7-5-4-6-8-16)18(22)13-23-17-11-9-15(10-12-17)19-14(2)21/h7,9-12H,3-6,8,13H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 332.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 8819689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).