1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide

C20H28N4O2S — CID 110211919

IUPAC1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C2CCC1c1sc(NC(=O)C3CC(=O)N(C4CCCCC4)C3)nc1C2
InChIInChI=1S/C20H28N4O2S/c1-23-14-7-8-16(23)18-15(10-14)21-20(27-18)22-19(26)12-9-17(25)24(11-12)13-5-3-2-4-6-13/h12-14,16H,2-11H2,1H3,(H,21,22,26)
InChIKeyADQMXKMKPCQSDR-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.95
Rot. Bonds3

About 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110211919) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110211919
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C2CCC1c1sc(NC(=O)C3CC(=O)N(C4CCCCC4)C3)nc1C2
InChIInChI=1S/C20H28N4O2S/c1-23-14-7-8-16(23)18-15(10-14)21-20(27-18)22-19(26)12-9-17(25)24(11-12)13-5-3-2-4-6-13/h12-14,16H,2-11H2,1H3,(H,21,22,26)
InChIKeyADQMXKMKPCQSDR-UHFFFAOYSA-N
XLogP2.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-methoxy-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)cyclohexane-1-carboxamide
CID 110211915
1-cyclohexyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3637915
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
1-cyclohexyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 4683890
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 51939881
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
(3S)-1-cyclopentyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438429
(3R)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7336940
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
(3S)-1-cyclopentyl-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364740
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 110211919) is 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide is CN1C2CCC1c1sc(NC(=O)C3CC(=O)N(C4CCCCC4)C3)nc1C2.
What is the InChIKey of 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ADQMXKMKPCQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-23-14-7-8-16(23)18-15(10-14)21-20(27-18)22-19(26)12-9-17(25)24(11-12)13-5-3-2-4-6-13/h12-14,16H,2-11H2,1H3,(H,21,22,26).
What are the key properties of 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110211919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).