1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide

C21H25N3O4S — CID 9078108

IUPAC1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-2-15-3-7-18(8-4-15)23-21(26)17-11-13-24(14-12-17)29(27,28)19-9-5-16(6-10-19)20(22)25/h3-10,17H,2,11-14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyNCAOFMFTZWGMQR-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide

1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide (PubChem CID 9078108) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
PubChem CID9078108
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-2-15-3-7-18(8-4-15)23-21(26)17-11-13-24(14-12-17)29(27,28)19-9-5-16(6-10-19)20(22)25/h3-10,17H,2,11-14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyNCAOFMFTZWGMQR-UHFFFAOYSA-N
XLogP2.39
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081249
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 100798986
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
methyl 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26583106
ethyl 2-[4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]phenyl]acetate
CID 100798707

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide (CID 9078108) is 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1.
What is the InChIKey of 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is NCAOFMFTZWGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-2-15-3-7-18(8-4-15)23-21(26)17-11-13-24(14-12-17)29(27,28)19-9-5-16(6-10-19)20(22)25/h3-10,17H,2,11-14H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide?
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9078108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).