2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H23ClN2O3S — CID 95782276

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1csc(CN(C[C@@H]2CCCO2)C(=O)COCc2ccccc2Cl)n1
InChIInChI=1S/C19H23ClN2O3S/c1-14-13-26-18(21-14)10-22(9-16-6-4-8-25-16)19(23)12-24-11-15-5-2-3-7-17(15)20/h2-3,5,7,13,16H,4,6,8-12H2,1H3/t16-/m0/s1
InChIKeyGDJQXKHXIQSPDM-INIZCTEOSA-N
MW394.92 g/mol
LogP3.83
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95782276) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95782276
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1csc(CN(C[C@@H]2CCCO2)C(=O)COCc2ccccc2Cl)n1
InChIInChI=1S/C19H23ClN2O3S/c1-14-13-26-18(21-14)10-22(9-16-6-4-8-25-16)19(23)12-24-11-15-5-2-3-7-17(15)20/h2-3,5,7,13,16H,4,6,8-12H2,1H3/t16-/m0/s1
InChIKeyGDJQXKHXIQSPDM-INIZCTEOSA-N
XLogP3.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95898891
3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95782280
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 51084081
2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 78798881
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 55968768
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376
N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
CID 42788825
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74246165

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95782276) is 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1csc(CN(C[C@@H]2CCCO2)C(=O)COCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GDJQXKHXIQSPDM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-13-26-18(21-14)10-22(9-16-6-4-8-25-16)19(23)12-24-11-15-5-2-3-7-17(15)20/h2-3,5,7,13,16H,4,6,8-12H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95782276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).