N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

C18H24N4O3S — CID 20949659

IUPACN-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCc1ccccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H24N4O3S/c1-14-7-9-22(10-8-14)26(24,25)18-12-21(13-19-18)11-17(23)20-16-6-4-3-5-15(16)2/h3-6,12-14H,7-11H2,1-2H3,(H,20,23)
InChIKeyWDQJLWNVFZEDSJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.25
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (PubChem CID 20949659) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
PubChem CID20949659
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCc1ccccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H24N4O3S/c1-14-7-9-22(10-8-14)26(24,25)18-12-21(13-19-18)11-17(23)20-16-6-4-3-5-15(16)2/h3-6,12-14H,7-11H2,1-2H3,(H,20,23)
InChIKeyWDQJLWNVFZEDSJ-UHFFFAOYSA-N
XLogP2.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949705
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949616
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone
CID 20949644
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767527
[2-(2-methylanilino)-2-oxoethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 46822544
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (CID 20949659) is N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is Cc1ccccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The InChIKey is WDQJLWNVFZEDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-7-9-22(10-8-14)26(24,25)18-12-21(13-19-18)11-17(23)20-16-6-4-3-5-15(16)2/h3-6,12-14H,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is sourced from PubChem (CID 20949659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).