N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C21H21NO5S — CID 166187970

IUPACN-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C21H21NO5S/c1-3-28(25,26)13-12-22-21(24)17-11-7-10-16-18(23)14(2)19(27-20(16)17)15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyPJVUQZXSLSXGSD-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.93
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 166187970) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID166187970
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C21H21NO5S/c1-3-28(25,26)13-12-22-21(24)17-11-7-10-16-18(23)14(2)19(27-20(16)17)15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyPJVUQZXSLSXGSD-UHFFFAOYSA-N
XLogP2.93
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46823937
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972581
3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
CID 16606726
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
CID 119557566

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 166187970) is N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is CCS(=O)(=O)CCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is PJVUQZXSLSXGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-3-28(25,26)13-12-22-21(24)17-11-7-10-16-18(23)14(2)19(27-20(16)17)15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 166187970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).