1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide

C21H27N3O4S — CID 60552518

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1=O
InChIInChI=1S/C21H27N3O4S/c1-4-23-14-18(6-8-20(23)25)22-21(26)17-9-11-24(12-10-17)29(27,28)19-7-5-15(2)16(3)13-19/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,22,26)
InChIKeyBLFMMWXEZAQYAE-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.52
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 60552518) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide
PubChem CID60552518
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1=O
InChIInChI=1S/C21H27N3O4S/c1-4-23-14-18(6-8-20(23)25)22-21(26)17-9-11-24(12-10-17)29(27,28)19-7-5-15(2)16(3)13-19/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,22,26)
InChIKeyBLFMMWXEZAQYAE-UHFFFAOYSA-N
XLogP2.52
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119515348
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-[4-(difluoromethylsulfanyl)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26499251
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24687063

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide (CID 60552518) is 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1=O.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is BLFMMWXEZAQYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-23-14-18(6-8-20(23)25)22-21(26)17-9-11-24(12-10-17)29(27,28)19-7-5-15(2)16(3)13-19/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,22,26).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 60552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).