N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C23H30N2O3S — CID 26736509

IUPACN-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O3S/c1-4-18-6-5-7-21(16-18)24-23(26)20-12-14-25(15-13-20)29(27,28)22-10-8-19(9-11-22)17(2)3/h5-11,16-17,20H,4,12-15H2,1-3H3,(H,24,26)
InChIKeyNOLPSQWVVXVVDG-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.41
Rot. Bonds6

About N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26736509) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26736509
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O3S/c1-4-18-6-5-7-21(16-18)24-23(26)20-12-14-25(15-13-20)29(27,28)22-10-8-19(9-11-22)17(2)3/h5-11,16-17,20H,4,12-15H2,1-3H3,(H,24,26)
InChIKeyNOLPSQWVVXVVDG-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-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-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26086762
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565
1-(4-propan-2-ylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26591934
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240
N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55613261
N-(3-ethylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 50822108

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 26736509) is N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NOLPSQWVVXVVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-18-6-5-7-21(16-18)24-23(26)20-12-14-25(15-13-20)29(27,28)22-10-8-19(9-11-22)17(2)3/h5-11,16-17,20H,4,12-15H2,1-3H3,(H,24,26).
What are the key properties of N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26736509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).