N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C20H26N2O4S2 — CID 24502988

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-3-26-18-10-8-16(9-11-18)14-21(2)20(23)17-6-4-12-22(15-17)28(24,25)19-7-5-13-27-19/h5,7-11,13,17H,3-4,6,12,14-15H2,1-2H3
InChIKeyDHXSUEWLXJCJOS-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.21
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 24502988) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID24502988
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-3-26-18-10-8-16(9-11-18)14-21(2)20(23)17-6-4-12-22(15-17)28(24,25)19-7-5-13-27-19/h5,7-11,13,17H,3-4,6,12,14-15H2,1-2H3
InChIKeyDHXSUEWLXJCJOS-UHFFFAOYSA-N
XLogP3.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125050637
N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18113933
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24503267
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125047733
N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616248
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 24502988) is N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCOc1ccc(CN(C)C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DHXSUEWLXJCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-3-26-18-10-8-16(9-11-18)14-21(2)20(23)17-6-4-12-22(15-17)28(24,25)19-7-5-13-27-19/h5,7-11,13,17H,3-4,6,12,14-15H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24502988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).