N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

C20H31N3O2S — CID 42771456

IUPACN-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
SMILESO=C(CN(CC1CCCCC1)C(=O)CCC1CCCC1)Nc1nccs1
InChIInChI=1S/C20H31N3O2S/c24-18(22-20-21-12-13-26-20)15-23(14-17-8-2-1-3-9-17)19(25)11-10-16-6-4-5-7-16/h12-13,16-17H,1-11,14-15H2,(H,21,22,24)
InChIKeyXULZYPPNVHFJAK-UHFFFAOYSA-N
MW377.55 g/mol
LogP4.46
Rot. Bonds8

About N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide (PubChem CID 42771456) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
PubChem CID42771456
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
SMILESO=C(CN(CC1CCCCC1)C(=O)CCC1CCCC1)Nc1nccs1
InChIInChI=1S/C20H31N3O2S/c24-18(22-20-21-12-13-26-20)15-23(14-17-8-2-1-3-9-17)19(25)11-10-16-6-4-5-7-16/h12-13,16-17H,1-11,14-15H2,(H,21,22,24)
InChIKeyXULZYPPNVHFJAK-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 814287
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771464
N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4155344
2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 5163798
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
3-bromo-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771458
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4168579
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814289
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
N'-[[(2S)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 7224314
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide (CID 42771456) is N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide is O=C(CN(CC1CCCCC1)C(=O)CCC1CCCC1)Nc1nccs1.
What is the InChIKey of N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The InChIKey is XULZYPPNVHFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c24-18(22-20-21-12-13-26-20)15-23(14-17-8-2-1-3-9-17)19(25)11-10-16-6-4-5-7-16/h12-13,16-17H,1-11,14-15H2,(H,21,22,24).
What are the key properties of N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide has a molecular weight of 377.55 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 42771456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).