2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide

C21H20N2O6S — CID 43046652

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H20N2O6S/c1-13-10-21(26)29-19-11-16(6-9-18(13)19)22-20(25)12-23(3)30(27,28)17-7-4-15(5-8-17)14(2)24/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyOLASZKNEJSSBGF-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.56
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 43046652) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID43046652
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H20N2O6S/c1-13-10-21(26)29-19-11-16(6-9-18(13)19)22-20(25)12-23(3)30(27,28)17-7-4-15(5-8-17)14(2)24/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyOLASZKNEJSSBGF-UHFFFAOYSA-N
XLogP2.56
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
5-bromo-N-methyl-N-[2-[(4-methyl-2-oxochromen-7-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112844733
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30601405
N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4795541

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 43046652) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is OLASZKNEJSSBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-13-10-21(26)29-19-11-16(6-9-18(13)19)22-20(25)12-23(3)30(27,28)17-7-4-15(5-8-17)14(2)24/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 428.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 43046652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).