N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C23H30N2O5S2 — CID 55613261

IUPACN-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H30N2O5S2/c1-4-31(27,28)22-8-6-5-7-21(22)24-23(26)19-13-15-25(16-14-19)32(29,30)20-11-9-18(10-12-20)17(2)3/h5-12,17,19H,4,13-16H2,1-3H3,(H,24,26)
InChIKeyIKTPAPQPPPRCCZ-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.64
Rot. Bonds7

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

N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55613261) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55613261
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC NameN-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H30N2O5S2/c1-4-31(27,28)22-8-6-5-7-21(22)24-23(26)19-13-15-25(16-14-19)32(29,30)20-11-9-18(10-12-20)17(2)3/h5-12,17,19H,4,13-16H2,1-3H3,(H,24,26)
InChIKeyIKTPAPQPPPRCCZ-UHFFFAOYSA-N
XLogP3.64
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
N-(2-ethyl-6-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 40633565
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
N-[2-[(2-chlorobenzoyl)amino]ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55659434
N-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410598
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
CID 16831919
N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55363461

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 55613261) is N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IKTPAPQPPPRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-4-31(27,28)22-8-6-5-7-21(22)24-23(26)19-13-15-25(16-14-19)32(29,30)20-11-9-18(10-12-20)17(2)3/h5-12,17,19H,4,13-16H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55613261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).