1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C21H26N4O4S — CID 16909772

IUPAC1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-2-4-17(5-3-15)23-20(26)14-25-12-10-16(11-13-25)21(27)24-18-6-8-19(9-7-18)30(22,28)29/h2-9,16H,10-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29)
InChIKeyAUOOHVWLLAFECV-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 16909772) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID16909772
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-2-4-17(5-3-15)23-20(26)14-25-12-10-16(11-13-25)21(27)24-18-6-8-19(9-7-18)30(22,28)29/h2-9,16H,10-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29)
InChIKeyAUOOHVWLLAFECV-UHFFFAOYSA-N
XLogP1.93
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
butyl 4-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate
CID 16909723
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 3238983
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 51260859
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 140779018
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 16909772) is 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is AUOOHVWLLAFECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-2-4-17(5-3-15)23-20(26)14-25-12-10-16(11-13-25)21(27)24-18-6-8-19(9-7-18)30(22,28)29/h2-9,16H,10-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29).
What are the key properties of 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).