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

C23H30N2O4S — CID 26915615

IUPACN-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-29-21-9-7-20(8-10-21)24-23(26)19-13-15-25(16-14-19)30(27,28)22-11-5-18(6-12-22)17(2)3/h5-12,17,19H,4,13-16H2,1-3H3,(H,24,26)
InChIKeyNJIDGEDMTRMHQL-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.25
Rot. Bonds7

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

N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26915615) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26915615
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-29-21-9-7-20(8-10-21)24-23(26)19-13-15-25(16-14-19)30(27,28)22-11-5-18(6-12-22)17(2)3/h5-12,17,19H,4,13-16H2,1-3H3,(H,24,26)
InChIKeyNJIDGEDMTRMHQL-UHFFFAOYSA-N
XLogP4.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894793
1-(4-ethoxyphenyl)sulfonyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 30859462
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
N-(3,5-difluorophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 34169348
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-[1-(4-bromophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873101
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
N-(3-ethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26736509
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 46624519
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
1-(4-methoxyphenyl)sulfonyl-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 100655918
1-(4-ethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18082310

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 26915615) is N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NJIDGEDMTRMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-29-21-9-7-20(8-10-21)24-23(26)19-13-15-25(16-14-19)30(27,28)22-11-5-18(6-12-22)17(2)3/h5-12,17,19H,4,13-16H2,1-3H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26915615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).