2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide

C20H25N3O2S — CID 167866208

IUPAC2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCc2n[nH]c(=O)cc2C1)C(c1cccs1)C1CCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18-12-14-11-15(8-9-16(14)22-23-18)21-20(25)19(17-7-4-10-26-17)13-5-2-1-3-6-13/h4,7,10,12-13,15,19H,1-3,5-6,8-9,11H2,(H,21,25)(H,23,24)
InChIKeyISSYTQUDXBVTKT-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.17
Rot. Bonds4

About 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide

2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide (PubChem CID 167866208) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide
PubChem CID167866208
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCc2n[nH]c(=O)cc2C1)C(c1cccs1)C1CCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18-12-14-11-15(8-9-16(14)22-23-18)21-20(25)19(17-7-4-10-26-17)13-5-2-1-3-6-13/h4,7,10,12-13,15,19H,1-3,5-6,8-9,11H2,(H,21,25)(H,23,24)
InChIKeyISSYTQUDXBVTKT-UHFFFAOYSA-N
XLogP3.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
CID 91632637
3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide
CID 91632641
N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91632624
5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
CID 129417338
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195
N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 129416875
5-chloro-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417306
5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417307
benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785
2-amino-N-(6-oxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279254
N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
CID 172885113
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide (CID 167866208) is 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide is O=C(NC1CCc2n[nH]c(=O)cc2C1)C(c1cccs1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide?
The InChIKey is ISSYTQUDXBVTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18-12-14-11-15(8-9-16(14)22-23-18)21-20(25)19(17-7-4-10-26-17)13-5-2-1-3-6-13/h4,7,10,12-13,15,19H,1-3,5-6,8-9,11H2,(H,21,25)(H,23,24).
What are the key properties of 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide?
2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide has a molecular weight of 371.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 167866208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).