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

C17H21ClN4O3S — CID 20949616

IUPACN-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C17H21ClN4O3S/c1-13-6-8-22(9-7-13)26(24,25)17-11-21(12-19-17)10-16(23)20-15-4-2-14(18)3-5-15/h2-5,11-13H,6-10H2,1H3,(H,20,23)
InChIKeyKSAXLHGVYODWJS-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.60
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (PubChem CID 20949616) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
PubChem CID20949616
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC NameN-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C17H21ClN4O3S/c1-13-6-8-22(9-7-13)26(24,25)17-11-21(12-19-17)10-16(23)20-15-4-2-14(18)3-5-15/h2-5,11-13H,6-10H2,1H3,(H,20,23)
InChIKeyKSAXLHGVYODWJS-UHFFFAOYSA-N
XLogP2.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949659
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
N-(4-fluoro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949705
N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
1-(1-ethylimidazol-4-yl)sulfonyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-4-carboxamide
CID 53029147
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949815
2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106718057
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 46341352
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone
CID 20949644

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (CID 20949616) is N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The InChIKey is KSAXLHGVYODWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-13-6-8-22(9-7-13)26(24,25)17-11-21(12-19-17)10-16(23)20-15-4-2-14(18)3-5-15/h2-5,11-13H,6-10H2,1H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is sourced from PubChem (CID 20949616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).