N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide

C28H37NO5S — CID 142380204

IUPACN-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C(C)C2CCOCC2)O3)cc1
InChIInChI=1S/C28H37NO5S/c1-5-21-6-8-23(9-7-21)29(18-19(2)3)35(31,32)24-10-11-27-25(16-24)26(30)17-28(34-27)20(4)22-12-14-33-15-13-22/h6-11,16,19-20,22,28H,5,12-15,17-18H2,1-4H3
InChIKeyKZGFWVZFHANHGT-UHFFFAOYSA-N
MW499.67 g/mol
LogP5.50
Rot. Bonds8

About N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide

N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide (PubChem CID 142380204) has the molecular formula C28H37NO5S and a molecular weight of 499.67 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide
PubChem CID142380204
Molecular FormulaC28H37NO5S
Molecular Weight499.67 g/mol
Exact Mass499.24
IUPAC NameN-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C(C)C2CCOCC2)O3)cc1
InChIInChI=1S/C28H37NO5S/c1-5-21-6-8-23(9-7-21)29(18-19(2)3)35(31,32)24-10-11-27-25(16-24)26(30)17-28(34-27)20(4)22-12-14-33-15-13-22/h6-11,16,19-20,22,28H,5,12-15,17-18H2,1-4H3
InChIKeyKZGFWVZFHANHGT-UHFFFAOYSA-N
XLogP5.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.67
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide (CID 142380204) is N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(=O)CC(C(C)C2CCOCC2)O3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The InChIKey is KZGFWVZFHANHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO5S/c1-5-21-6-8-23(9-7-21)29(18-19(2)3)35(31,32)24-10-11-27-25(16-24)26(30)17-28(34-27)20(4)22-12-14-33-15-13-22/h6-11,16,19-20,22,28H,5,12-15,17-18H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide?
N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide has a molecular weight of 499.67 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 142380204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).