(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide

C17H27N3O2S — CID 7361230

IUPAC(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CC(=O)Nc1nccs1)CC1CC1
InChIInChI=1S/C17H27N3O2S/c1-3-5-6-14(4-2)16(22)20(11-13-7-8-13)12-15(21)19-17-18-9-10-23-17/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,18,19,21)/t14-/m1/s1
InChIKeyAFQSSUFERNZYBS-CQSZACIVSA-N
MW337.49 g/mol
LogP3.54
Rot. Bonds10

About (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide

(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide (PubChem CID 7361230) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
PubChem CID7361230
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CC(=O)Nc1nccs1)CC1CC1
InChIInChI=1S/C17H27N3O2S/c1-3-5-6-14(4-2)16(22)20(11-13-7-8-13)12-15(21)19-17-18-9-10-23-17/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,18,19,21)/t14-/m1/s1
InChIKeyAFQSSUFERNZYBS-CQSZACIVSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide with MolForge

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Related Compounds

3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium
CID 7411294
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 5163798
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814289
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4168579
3-cyclopentyl-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 814287
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771456
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide
CID 814298
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4155344
3-bromo-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771458
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide (CID 7361230) is (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide is CCCC[C@@H](CC)C(=O)N(CC(=O)Nc1nccs1)CC1CC1.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The InChIKey is AFQSSUFERNZYBS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-5-6-14(4-2)16(22)20(11-13-7-8-13)12-15(21)19-17-18-9-10-23-17/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,18,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide has a molecular weight of 337.49 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide is sourced from PubChem (CID 7361230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).