2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide

C19H25NO4S — CID 16798424

IUPAC2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C19H25NO4S/c1-24-18-9-7-16(8-10-18)20(17-11-12-25(22,23)14-17)19(21)13-15-5-3-2-4-6-15/h7-12,15,17H,2-6,13-14H2,1H3
InChIKeyQMCYMGWNOSTFMB-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.31
Rot. Bonds5

About 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide

2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 16798424) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID16798424
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C19H25NO4S/c1-24-18-9-7-16(8-10-18)20(17-11-12-25(22,23)14-17)19(21)13-15-5-3-2-4-6-15/h7-12,15,17H,2-6,13-14H2,1H3
InChIKeyQMCYMGWNOSTFMB-UHFFFAOYSA-N
XLogP3.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide (CID 16798424) is 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)CC2CCCCC2)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is QMCYMGWNOSTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-24-18-9-7-16(8-10-18)20(17-11-12-25(22,23)14-17)19(21)13-15-5-3-2-4-6-15/h7-12,15,17H,2-6,13-14H2,1H3.
What are the key properties of 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 363.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).