N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

C20H26N2O4S2 — CID 9123388

IUPACN-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCC[C@@H](C)N(C(=O)COc1ccc(-c2nc(C)cs2)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N2O4S2/c1-4-15(3)22(17-9-10-28(24,25)13-17)19(23)11-26-18-7-5-16(6-8-18)20-21-14(2)12-27-20/h5-8,12,15,17H,4,9-11,13H2,1-3H3/t15-,17+/m1/s1
InChIKeyQOCOKSNCPJCNLY-WBVHZDCISA-N
MW422.57 g/mol
LogP3.31
Rot. Bonds7

About N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (PubChem CID 9123388) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
PubChem CID9123388
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCC[C@@H](C)N(C(=O)COc1ccc(-c2nc(C)cs2)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N2O4S2/c1-4-15(3)22(17-9-10-28(24,25)13-17)19(23)11-26-18-7-5-16(6-8-18)20-21-14(2)12-27-20/h5-8,12,15,17H,4,9-11,13H2,1-3H3/t15-,17+/m1/s1
InChIKeyQOCOKSNCPJCNLY-WBVHZDCISA-N
XLogP3.31
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]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-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002010
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002011
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 17473544
N-[(2S)-butan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41437035
[2-[[(2R)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905302
[2-[[(2S)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7843133
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
[2-[[(2R)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853810
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 41290711
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 9199641
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethylphenoxy)-N-methylacetamide
CID 2317878

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (CID 9123388) is N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is CC[C@@H](C)N(C(=O)COc1ccc(-c2nc(C)cs2)cc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The InChIKey is QOCOKSNCPJCNLY-WBVHZDCISA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-4-15(3)22(17-9-10-28(24,25)13-17)19(23)11-26-18-7-5-16(6-8-18)20-21-14(2)12-27-20/h5-8,12,15,17H,4,9-11,13H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9123388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).