N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide

C19H25NO3S — CID 18554273

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide
SMILESCCc1ccccc1N(C(=O)C1CCCCC1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C19H25NO3S/c1-2-15-8-6-7-11-18(15)20(17-12-13-24(22,23)14-17)19(21)16-9-4-3-5-10-16/h6-8,11-13,16-17H,2-5,9-10,14H2,1H3
InChIKeyYTUHEMVNGKHQCE-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.47
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide (PubChem CID 18554273) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide
PubChem CID18554273
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide
SMILESCCc1ccccc1N(C(=O)C1CCCCC1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C19H25NO3S/c1-2-15-8-6-7-11-18(15)20(17-12-13-24(22,23)14-17)19(21)16-9-4-3-5-10-16/h6-8,11-13,16-17H,2-5,9-10,14H2,1H3
InChIKeyYTUHEMVNGKHQCE-UHFFFAOYSA-N
XLogP3.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide (CID 18554273) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide is CCc1ccccc1N(C(=O)C1CCCCC1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide?
The InChIKey is YTUHEMVNGKHQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-2-15-8-6-7-11-18(15)20(17-12-13-24(22,23)14-17)19(21)16-9-4-3-5-10-16/h6-8,11-13,16-17H,2-5,9-10,14H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 18554273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).