1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

C16H24N2O5S — CID 1091450

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-4-17-16(19)12-7-9-18(10-8-12)24(20,21)15-11-13(22-2)5-6-14(15)23-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyNFNKPAPOGVWQQQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.24
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide (PubChem CID 1091450) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
PubChem CID1091450
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-4-17-16(19)12-7-9-18(10-8-12)24(20,21)15-11-13(22-2)5-6-14(15)23-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyNFNKPAPOGVWQQQ-UHFFFAOYSA-N
XLogP1.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide (CID 1091450) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is NFNKPAPOGVWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-17-16(19)12-7-9-18(10-8-12)24(20,21)15-11-13(22-2)5-6-14(15)23-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 1091450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).