N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide

C22H24N2O7S — CID 19207195

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3cc(OC)ccc3oc2=O)c1
InChIInChI=1S/C22H24N2O7S/c1-5-24(6-2)32(27,28)16-8-10-20(30-4)18(13-16)23-21(25)17-12-14-11-15(29-3)7-9-19(14)31-22(17)26/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeyTXCMHQFZMJNFJM-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.09
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 19207195) has the molecular formula C22H24N2O7S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID19207195
Molecular FormulaC22H24N2O7S
Molecular Weight460.51 g/mol
Exact Mass460.13
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3cc(OC)ccc3oc2=O)c1
InChIInChI=1S/C22H24N2O7S/c1-5-24(6-2)32(27,28)16-8-10-20(30-4)18(13-16)23-21(25)17-12-14-11-15(29-3)7-9-19(14)31-22(17)26/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeyTXCMHQFZMJNFJM-UHFFFAOYSA-N
XLogP3.09
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225755
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide (CID 19207195) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3cc(OC)ccc3oc2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is TXCMHQFZMJNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7S/c1-5-24(6-2)32(27,28)16-8-10-20(30-4)18(13-16)23-21(25)17-12-14-11-15(29-3)7-9-19(14)31-22(17)26/h7-13H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 19207195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).