1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C21H34N4O5S — CID 55989659

IUPAC1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H34N4O5S/c1-16-6-7-18(14-19(16)31(28,29)24(2)3)23-20(26)15-25-11-8-17(9-12-25)21(27)22-10-5-13-30-4/h6-7,14,17H,5,8-13,15H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyJXKLPCQILXPMEE-UHFFFAOYSA-N
MW454.59 g/mol
LogP1.05
Rot. Bonds10

About 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55989659) has the molecular formula C21H34N4O5S and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55989659
Molecular FormulaC21H34N4O5S
Molecular Weight454.59 g/mol
Exact Mass454.22
IUPAC Name1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H34N4O5S/c1-16-6-7-18(14-19(16)31(28,29)24(2)3)23-20(26)15-25-11-8-17(9-12-25)21(27)22-10-5-13-30-4/h6-7,14,17H,5,8-13,15H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyJXKLPCQILXPMEE-UHFFFAOYSA-N
XLogP1.05
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742308
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 25494837
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909325
2-[4-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 43036038
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55852879
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16605869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55989659) is 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is JXKLPCQILXPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5S/c1-16-6-7-18(14-19(16)31(28,29)24(2)3)23-20(26)15-25-11-8-17(9-12-25)21(27)22-10-5-13-30-4/h6-7,14,17H,5,8-13,15H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55989659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).