5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide

C28H37N3O4S — CID 89468657

IUPAC5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide
SMILESCC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)N=O)C2CCC3(CC2)CNC(=O)C3)CC1
InChIInChI=1S/C28H37N3O4S/c1-18-7-9-20(10-8-18)27(34)31(21-11-13-28(14-12-21)16-24(32)29-17-28)22-15-23(19-5-3-2-4-6-19)36-25(22)26(33)30-35/h5,15,18,20-21H,2-4,6-14,16-17H2,1H3,(H,29,32)
InChIKeyOUTJPFOKKJVAIN-UHFFFAOYSA-N
MW511.69 g/mol
LogP6.22
Rot. Bonds5

About 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide

5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide (PubChem CID 89468657) has the molecular formula C28H37N3O4S and a molecular weight of 511.69 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide
PubChem CID89468657
Molecular FormulaC28H37N3O4S
Molecular Weight511.69 g/mol
Exact Mass511.25
IUPAC Name5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide
SMILESCC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)N=O)C2CCC3(CC2)CNC(=O)C3)CC1
InChIInChI=1S/C28H37N3O4S/c1-18-7-9-20(10-8-18)27(34)31(21-11-13-28(14-12-21)16-24(32)29-17-28)22-15-23(19-5-3-2-4-6-19)36-25(22)26(33)30-35/h5,15,18,20-21H,2-4,6-14,16-17H2,1H3,(H,29,32)
InChIKeyOUTJPFOKKJVAIN-UHFFFAOYSA-N
XLogP6.22
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.69
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide with MolForge

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Related Compounds

5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]thiophene-2-carboxylic acid;ethane
CID 143324599
5-(cyclohexen-1-yl)-3-[cyclohexyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 11963193
5-(cyclohexen-1-yl)-3-[(4-iminocyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 143324597
azane;5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]thiophene-2-carboxylic acid
CID 173129555
5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-[4-(1,2,4-triazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylic acid;hydrochloride
CID 71205462
5-(cyclohexen-1-yl)-3-[(3-methylcyclobutanecarbonyl)-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid
CID 70989109
5-(cyclohexen-1-yl)-3-[[4-(ethoxyamino)cyclohex-3-en-1-yl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 91555265
ethane;methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-[4-(methylsulfanylmethoxy)cyclohexyl]amino]thiophene-2-carboxylate
CID 143324624
propan-2-yloxycarbonyloxymethyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-1-ium-4-yl)amino]thiophene-2-carboxylate chloride
CID 67278510
5-(cyclohexen-1-yl)-3-[(4,4-difluorocyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid;bis(propan-2-yloxycarbonyloxymethyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylate);dihydrochloride
CID 173152215
5-(cyclohexen-1-yl)-3-[cyclopropyl(propanoyl)amino]thiophene-2-carboxylic acid
CID 67475619
5-(cyclohexen-1-yl)-3-[(4-oxocyclohexyl)-propanoylamino]thiophene-2-carboxylic acid
CID 67475677

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide (CID 89468657) is 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide is CC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)N=O)C2CCC3(CC2)CNC(=O)C3)CC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide?
The InChIKey is OUTJPFOKKJVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4S/c1-18-7-9-20(10-8-18)27(34)31(21-11-13-28(14-12-21)16-24(32)29-17-28)22-15-23(19-5-3-2-4-6-19)36-25(22)26(33)30-35/h5,15,18,20-21H,2-4,6-14,16-17H2,1H3,(H,29,32).
What are the key properties of 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide?
5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide has a molecular weight of 511.69 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-N-oxothiophene-2-carboxamide is sourced from PubChem (CID 89468657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).