N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide

C25H29N3O5S — CID 1152121

IUPACN-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)c(=O)oc2c1
InChIInChI=1S/C25H29N3O5S/c1-3-28(4-2)20-12-9-17-15-22(25(30)33-23(17)16-20)24(29)26-18-10-13-21(14-11-18)34(31,32)27-19-7-5-6-8-19/h9-16,19,27H,3-8H2,1-2H3,(H,26,29)
InChIKeyGAAFXNXSMCXTGX-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.11
Rot. Bonds8

About N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide

N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide (PubChem CID 1152121) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide
PubChem CID1152121
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)c(=O)oc2c1
InChIInChI=1S/C25H29N3O5S/c1-3-28(4-2)20-12-9-17-15-22(25(30)33-23(17)16-20)24(29)26-18-10-13-21(14-11-18)34(31,32)27-19-7-5-6-8-19/h9-16,19,27H,3-8H2,1-2H3,(H,26,29)
InChIKeyGAAFXNXSMCXTGX-UHFFFAOYSA-N
XLogP4.11
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.11
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

7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
7-(diethylamino)-2-imino-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]chromene-3-carboxamide
CID 19289141
methyl 4-[[7-(dicyclopropylamino)-2-oxochromene-3-carbonyl]amino]benzoate
CID 172574382
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
7-(diethylamino)-3-(thiane-2-carbonyl)chromen-2-one
CID 139711899
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-N-[(Z)-2-(2,5-dioxopyrrolidin-1-yl)ethenyl]-2-oxochromene-3-carboxamide
CID 5288792
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
CID 5134370
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
CID 119045142

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide (CID 1152121) is N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)c(=O)oc2c1.
What is the InChIKey of N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide?
The InChIKey is GAAFXNXSMCXTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-3-28(4-2)20-12-9-17-15-22(25(30)33-23(17)16-20)24(29)26-18-10-13-21(14-11-18)34(31,32)27-19-7-5-6-8-19/h9-16,19,27H,3-8H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide?
N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1152121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).