N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide

C19H18N2O5S — CID 3903461

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H18N2O5S/c1-12-8-9-14(11-17(12)27(24,25)21(2)3)20-18(22)15-10-13-6-4-5-7-16(13)26-19(15)23/h4-11H,1-3H3,(H,20,22)
InChIKeyDHHSTKVDKKUOTI-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.60
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide (PubChem CID 3903461) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
PubChem CID3903461
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H18N2O5S/c1-12-8-9-14(11-17(12)27(24,25)21(2)3)20-18(22)15-10-13-6-4-5-7-16(13)26-19(15)23/h4-11H,1-3H3,(H,20,22)
InChIKeyDHHSTKVDKKUOTI-UHFFFAOYSA-N
XLogP2.60
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 9107286
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 3988955
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
CID 78866131
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide (CID 3903461) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide?
The InChIKey is DHHSTKVDKKUOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-8-9-14(11-17(12)27(24,25)21(2)3)20-18(22)15-10-13-6-4-5-7-16(13)26-19(15)23/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3903461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).