N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide

C23H24N2O5S — CID 40775940

IUPACN-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C23H24N2O5S/c1-2-17-7-5-6-14-25(17)31(28,29)18-12-10-16(11-13-18)24-23(27)22-15-20(26)19-8-3-4-9-21(19)30-22/h3-4,8-13,15,17H,2,5-7,14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyBYZMCABVSZHHKO-QGZVFWFLSA-N
MW440.52 g/mol
LogP4.00
Rot. Bonds5

About N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide

N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide (PubChem CID 40775940) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
PubChem CID40775940
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C23H24N2O5S/c1-2-17-7-5-6-14-25(17)31(28,29)18-12-10-16(11-13-18)24-23(27)22-15-20(26)19-8-3-4-9-21(19)30-22/h3-4,8-13,15,17H,2,5-7,14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyBYZMCABVSZHHKO-QGZVFWFLSA-N
XLogP4.00
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4583854
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 47026428
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 4860087

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide (CID 40775940) is N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is BYZMCABVSZHHKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-2-17-7-5-6-14-25(17)31(28,29)18-12-10-16(11-13-18)24-23(27)22-15-20(26)19-8-3-4-9-21(19)30-22/h3-4,8-13,15,17H,2,5-7,14H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 40775940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).