N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide

C18H16N2O5S — CID 2798637

IUPACN-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
SMILESCC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2oc1=O
InChIInChI=1S/C18H16N2O5S/c1-11-3-6-15(7-4-11)26(23,24)20-14-5-8-17-13(9-14)10-16(18(22)25-17)19-12(2)21/h3-10,20H,1-2H3,(H,19,21)
InChIKeyFJPBWTZEHBGPSQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.86
Rot. Bonds4

About N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide

N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide (PubChem CID 2798637) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
PubChem CID2798637
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
SMILESCC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2oc1=O
InChIInChI=1S/C18H16N2O5S/c1-11-3-6-15(7-4-11)26(23,24)20-14-5-8-17-13(9-14)10-16(18(22)25-17)19-12(2)21/h3-10,20H,1-2H3,(H,19,21)
InChIKeyFJPBWTZEHBGPSQ-UHFFFAOYSA-N
XLogP2.86
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
(2S)-2-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]-3-phenylpropanoic acid
CID 10410425
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
dimethyl 2-[(3-acetamido-2-oxochromen-6-yl)amino]but-2-enedioate
CID 2798723
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
CID 46255904
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
CID 155927344
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide?
The IUPAC name of N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide (CID 2798637) is N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide.
What is the SMILES notation for N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide?
The canonical SMILES for N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide is CC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2oc1=O.
What is the InChIKey of N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide?
The InChIKey is FJPBWTZEHBGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-3-6-15(7-4-11)26(23,24)20-14-5-8-17-13(9-14)10-16(18(22)25-17)19-12(2)21/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide?
N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide is sourced from PubChem (CID 2798637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).