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

C17H21NO3S — CID 177025160

IUPAC4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H21NO3S/c19-17(18-16-10-11-22(20,21)12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16H,1-5,12H2,(H,18,19)
InChIKeyTUXIJXPIIIKYMZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.77
Rot. Bonds3

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

4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide (PubChem CID 177025160) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
PubChem CID177025160
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H21NO3S/c19-17(18-16-10-11-22(20,21)12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16H,1-5,12H2,(H,18,19)
InChIKeyTUXIJXPIIIKYMZ-UHFFFAOYSA-N
XLogP2.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82485147
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CID 78790783
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CID 42571690
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6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
CID 74243181
1-cyclohexyl-3-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]thiourea
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N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyclohexylbenzamide
CID 46687376
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
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CID 119504655

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The IUPAC name of 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide (CID 177025160) is 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide.
What is the SMILES notation for 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The canonical SMILES for 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide is O=C(NC1C=CS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The InChIKey is TUXIJXPIIIKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c19-17(18-16-10-11-22(20,21)12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16H,1-5,12H2,(H,18,19).
What are the key properties of 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide is sourced from PubChem (CID 177025160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).