N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

C17H22N4O3S — CID 20949569

IUPACN-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C17H22N4O3S/c1-14-6-5-7-15(10-14)19-16(22)11-20-12-17(18-13-20)25(23,24)21-8-3-2-4-9-21/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,19,22)
InChIKeyDMOYTBXCLRHGTN-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.00
Rot. Bonds5

About N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20949569) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20949569
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C17H22N4O3S/c1-14-6-5-7-15(10-14)19-16(22)11-20-12-17(18-13-20)25(23,24)21-8-3-2-4-9-21/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,19,22)
InChIKeyDMOYTBXCLRHGTN-UHFFFAOYSA-N
XLogP2.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707
methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
CID 20969620
N-[(5-methylfuran-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949556
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949616
N-(3-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085777
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20949569) is N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is DMOYTBXCLRHGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-14-6-5-7-15(10-14)19-16(22)11-20-12-17(18-13-20)25(23,24)21-8-3-2-4-9-21/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,19,22).
What are the key properties of N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20949569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).