2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

C22H30N4O2S — CID 86958544

IUPAC2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)C(C)c1cccnc1
InChIInChI=1S/C22H30N4O2S/c1-3-26(17(2)18-8-7-11-23-16-18)20(28)15-22(9-5-4-6-10-22)14-19(27)25-21-24-12-13-29-21/h7-8,11-13,16-17H,3-6,9-10,14-15H2,1-2H3,(H,24,25,27)
InChIKeyMPWDXDOVYXFNOM-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.82
Rot. Bonds8

About 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86958544) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID86958544
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)C(C)c1cccnc1
InChIInChI=1S/C22H30N4O2S/c1-3-26(17(2)18-8-7-11-23-16-18)20(28)15-22(9-5-4-6-10-22)14-19(27)25-21-24-12-13-29-21/h7-8,11-13,16-17H,3-6,9-10,14-15H2,1-2H3,(H,24,25,27)
InChIKeyMPWDXDOVYXFNOM-UHFFFAOYSA-N
XLogP4.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896978
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
2-[1-[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86972048
2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896977
2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86895877
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
2-[1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945883
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86896980
2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897035
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 119488005

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86958544) is 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is CCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)C(C)c1cccnc1.
What is the InChIKey of 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MPWDXDOVYXFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-3-26(17(2)18-8-7-11-23-16-18)20(28)15-22(9-5-4-6-10-22)14-19(27)25-21-24-12-13-29-21/h7-8,11-13,16-17H,3-6,9-10,14-15H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 414.58 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86958544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).