N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide

C24H19NO5S — CID 19212556

IUPACN-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide
SMILESCc1ccc(N(C(=O)c2cc3ccccc3oc2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19NO5S/c1-16-7-11-19(12-8-16)25(31(28,29)20-13-9-17(2)10-14-20)23(26)21-15-18-5-3-4-6-22(18)30-24(21)27/h3-15H,1-2H3
InChIKeyUGZLNBPFYPOUHA-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.45
Rot. Bonds4

About N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide

N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide (PubChem CID 19212556) has the molecular formula C24H19NO5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide
PubChem CID19212556
Molecular FormulaC24H19NO5S
Molecular Weight433.49 g/mol
Exact Mass433.10
IUPAC NameN-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide
SMILESCc1ccc(N(C(=O)c2cc3ccccc3oc2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19NO5S/c1-16-7-11-19(12-8-16)25(31(28,29)20-13-9-17(2)10-14-20)23(26)21-15-18-5-3-4-6-22(18)30-24(21)27/h3-15H,1-2H3
InChIKeyUGZLNBPFYPOUHA-UHFFFAOYSA-N
XLogP4.45
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-2-oxochromene-3-carboxamide
CID 19212567
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
(2-oxochromen-3-yl) 4-methylbenzenesulfonate
CID 88654841
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
2-oxochromene-3-carboxylic acid
CID 161011590
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54511869
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-(benzenesulfonyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19210790

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide (CID 19212556) is N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide is Cc1ccc(N(C(=O)c2cc3ccccc3oc2=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide?
The InChIKey is UGZLNBPFYPOUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5S/c1-16-7-11-19(12-8-16)25(31(28,29)20-13-9-17(2)10-14-20)23(26)21-15-18-5-3-4-6-22(18)30-24(21)27/h3-15H,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide?
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 19212556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).