N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide

C22H28N2O3S — CID 42191123

IUPACN-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide
SMILESCc1nc(CC(=O)N(Cc2ccc(O[C@@H]3CCOC3)cc2)C2CCCC2)cs1
InChIInChI=1S/C22H28N2O3S/c1-16-23-18(15-28-16)12-22(25)24(19-4-2-3-5-19)13-17-6-8-20(9-7-17)27-21-10-11-26-14-21/h6-9,15,19,21H,2-5,10-14H2,1H3/t21-/m1/s1
InChIKeyVOTCVKYBQOZRBX-OAQYLSRUSA-N
MW400.54 g/mol
LogP4.13
Rot. Bonds7

About N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide

N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide (PubChem CID 42191123) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide
PubChem CID42191123
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide
SMILESCc1nc(CC(=O)N(Cc2ccc(O[C@@H]3CCOC3)cc2)C2CCCC2)cs1
InChIInChI=1S/C22H28N2O3S/c1-16-23-18(15-28-16)12-22(25)24(19-4-2-3-5-19)13-17-6-8-20(9-7-17)27-21-10-11-26-14-21/h6-9,15,19,21H,2-5,10-14H2,1H3/t21-/m1/s1
InChIKeyVOTCVKYBQOZRBX-OAQYLSRUSA-N
XLogP4.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-methoxy-N-[[4-(oxolan-3-yloxy)phenyl]methyl]acetamide
CID 45239699
N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46966961
N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45195424
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
3-[2-(4-cyclopentyloxyphenyl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424572
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
N-[4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27163763
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide (CID 42191123) is N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide is Cc1nc(CC(=O)N(Cc2ccc(O[C@@H]3CCOC3)cc2)C2CCCC2)cs1.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide?
The InChIKey is VOTCVKYBQOZRBX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-23-18(15-28-16)12-22(25)24(19-4-2-3-5-19)13-17-6-8-20(9-7-17)27-21-10-11-26-14-21/h6-9,15,19,21H,2-5,10-14H2,1H3/t21-/m1/s1.
What are the key properties of N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide?
N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide is sourced from PubChem (CID 42191123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).