N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C17H20N2O4S2 — CID 51265482

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC3(C)CCS(=O)(=O)C3)c2)cs1
InChIInChI=1S/C17H20N2O4S2/c1-12-18-14(10-24-12)9-23-15-5-3-4-13(8-15)16(20)19-17(2)6-7-25(21,22)11-17/h3-5,8,10H,6-7,9,11H2,1-2H3,(H,19,20)
InChIKeyDGBWXBONOHCRAP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.34
Rot. Bonds5

About N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 51265482) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID51265482
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC3(C)CCS(=O)(=O)C3)c2)cs1
InChIInChI=1S/C17H20N2O4S2/c1-12-18-14(10-24-12)9-23-15-5-3-4-13(8-15)16(20)19-17(2)6-7-25(21,22)11-17/h3-5,8,10H,6-7,9,11H2,1-2H3,(H,19,20)
InChIKeyDGBWXBONOHCRAP-UHFFFAOYSA-N
XLogP2.34
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide 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-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-phenoxybenzamide
CID 7770326
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 120887377
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 55445792
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38403977
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1H-pyrazol-5-yl)benzamide
CID 47835663
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16571914
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 51265482) is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)NC3(C)CCS(=O)(=O)C3)c2)cs1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is DGBWXBONOHCRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-12-18-14(10-24-12)9-23-15-5-3-4-13(8-15)16(20)19-17(2)6-7-25(21,22)11-17/h3-5,8,10H,6-7,9,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 51265482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).