N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O4S2 — CID 4810603

IUPACN-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-2-24-16-7-5-15(6-8-16)19-18(21)14-9-11-20(12-10-14)26(22,23)17-4-3-13-25-17/h3-8,13-14H,2,9-12H2,1H3,(H,19,21)
InChIKeyMZPVIAYHDZHNCG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.19
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4810603) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4810603
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-2-24-16-7-5-15(6-8-16)19-18(21)14-9-11-20(12-10-14)26(22,23)17-4-3-13-25-17/h3-8,13-14H,2,9-12H2,1H3,(H,19,21)
InChIKeyMZPVIAYHDZHNCG-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(thiophene-2-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 15988672
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16275216
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(3,4-Dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4094700
N-(3-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322906
N-(4-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322907
1-(4-Methoxyphenyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 15988659
3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 15988713

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4810603) is N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is MZPVIAYHDZHNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-2-24-16-7-5-15(6-8-16)19-18(21)14-9-11-20(12-10-14)26(22,23)17-4-3-13-25-17/h3-8,13-14H,2,9-12H2,1H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4810603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).