N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide

C17H21N3O4S — CID 42923292

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CCS(=O)(=O)C1)c1nccn1C
InChIInChI=1S/C17H21N3O4S/c1-20-9-8-18-16(20)15(13-5-3-4-6-14(13)24-2)19-17(21)12-7-10-25(22,23)11-12/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,19,21)
InChIKeyGPWUFFHXUVIUPC-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.07
Rot. Bonds5

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 42923292) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID42923292
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CCS(=O)(=O)C1)c1nccn1C
InChIInChI=1S/C17H21N3O4S/c1-20-9-8-18-16(20)15(13-5-3-4-6-14(13)24-2)19-17(21)12-7-10-25(22,23)11-12/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,19,21)
InChIKeyGPWUFFHXUVIUPC-UHFFFAOYSA-N
XLogP1.07
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556505
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94030272
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 25388747
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 166185377
1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55454203
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide (CID 42923292) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide is COc1ccccc1C(NC(=O)C1CCS(=O)(=O)C1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is GPWUFFHXUVIUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-20-9-8-18-16(20)15(13-5-3-4-6-14(13)24-2)19-17(21)12-7-10-25(22,23)11-12/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 42923292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).