N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide

C22H24N2O5S — CID 42893558

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C22H24N2O5S/c1-4-24(5-2)30(27,28)18-12-10-16(11-13-18)15(3)23-21(25)19-14-17-8-6-7-9-20(17)29-22(19)26/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyUVIUIZNNEBJHAO-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.31
Rot. Bonds7

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 42893558) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide
PubChem CID42893558
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C22H24N2O5S/c1-4-24(5-2)30(27,28)18-12-10-16(11-13-18)15(3)23-21(25)19-14-17-8-6-7-9-20(17)29-22(19)26/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyUVIUIZNNEBJHAO-UHFFFAOYSA-N
XLogP3.31
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 51247110
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2366109
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 40972540
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide (CID 42893558) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is UVIUIZNNEBJHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-4-24(5-2)30(27,28)18-12-10-16(11-13-18)15(3)23-21(25)19-14-17-8-6-7-9-20(17)29-22(19)26/h6-15H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 42893558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).