N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

C22H24N2O6S — CID 52932243

IUPACN-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3C)c(=O)oc12
InChIInChI=1S/C22H24N2O6S/c1-5-6-16-19(29-3)10-7-14-12-17(22(26)30-20(14)16)21(25)23-18-9-8-15(11-13(18)2)24-31(4,27)28/h7-12,24H,5-6H2,1-4H3,(H,23,25)
InChIKeyWORBNZQIKVAUHD-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.69
Rot. Bonds7

About N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (PubChem CID 52932243) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
PubChem CID52932243
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3C)c(=O)oc12
InChIInChI=1S/C22H24N2O6S/c1-5-6-16-19(29-3)10-7-14-12-17(22(26)30-20(14)16)21(25)23-18-9-8-15(11-13(18)2)24-31(4,27)28/h7-12,24H,5-6H2,1-4H3,(H,23,25)
InChIKeyWORBNZQIKVAUHD-UHFFFAOYSA-N
XLogP3.69
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52931728
N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87589261
8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide
CID 52931842
N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87684672
7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
CID 52931843
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (CID 52932243) is N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3C)c(=O)oc12.
What is the InChIKey of N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The InChIKey is WORBNZQIKVAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-5-6-16-19(29-3)10-7-14-12-17(22(26)30-20(14)16)21(25)23-18-9-8-15(11-13(18)2)24-31(4,27)28/h7-12,24H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is sourced from PubChem (CID 52932243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).