6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide

C24H26N2O5S — CID 40872193

IUPAC6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H26N2O5S/c1-3-17-6-11-22-20(13-17)21(27)14-23(31-22)24(28)25-18-7-9-19(10-8-18)32(29,30)26-12-4-5-16(2)15-26/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyKOJACCKIJGHAIG-INIZCTEOSA-N
MW454.55 g/mol
LogP4.03
Rot. Bonds5

About 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide

6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide (PubChem CID 40872193) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
PubChem CID40872193
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H26N2O5S/c1-3-17-6-11-22-20(13-17)21(27)14-23(31-22)24(28)25-18-7-9-19(10-8-18)32(29,30)26-12-4-5-16(2)15-26/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyKOJACCKIJGHAIG-INIZCTEOSA-N
XLogP4.03
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2139142
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 40775940
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 19119100
ethyl 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxylate
CID 42427921

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide (CID 40872193) is 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide is CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is KOJACCKIJGHAIG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-17-6-11-22-20(13-17)21(27)14-23(31-22)24(28)25-18-7-9-19(10-8-18)32(29,30)26-12-4-5-16(2)15-26/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 40872193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).