2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C17H23N3O3S3 — CID 110221792

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C17H23N3O3S3/c1-12-10-25-17(18-12)15(8-14-4-3-6-24-14)19-16(21)9-20(2)13-5-7-26(22,23)11-13/h3-4,6,10,13,15H,5,7-9,11H2,1-2H3,(H,19,21)
InChIKeyGDWVEXJGWMXIGS-UHFFFAOYSA-N
MW413.59 g/mol
LogP2.03
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 110221792) has the molecular formula C17H23N3O3S3 and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID110221792
Molecular FormulaC17H23N3O3S3
Molecular Weight413.59 g/mol
Exact Mass413.09
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C17H23N3O3S3/c1-12-10-25-17(18-12)15(8-14-4-3-6-24-14)19-16(21)9-20(2)13-5-7-26(22,23)11-13/h3-4,6,10,13,15H,5,7-9,11H2,1-2H3,(H,19,21)
InChIKeyGDWVEXJGWMXIGS-UHFFFAOYSA-N
XLogP2.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]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

2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 124737319
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222235
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92563807
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
CID 18144877
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 110296645
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
4-tert-butyl-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3819735
1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
CID 96520322
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 131951934
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793246

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 110221792) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is Cc1csc(C(Cc2cccs2)NC(=O)CN(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is GDWVEXJGWMXIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S3/c1-12-10-25-17(18-12)15(8-14-4-3-6-24-14)19-16(21)9-20(2)13-5-7-26(22,23)11-13/h3-4,6,10,13,15H,5,7-9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 413.59 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 110221792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).