N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C28H32N2O4S — CID 133219484

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c2ccccc2O1
InChIInChI=1S/C28H32N2O4S/c1-5-28(6-2)18-24(23-9-7-8-10-25(23)34-28)29-27(31)21-14-13-20(4)26(17-21)35(32,33)30-22-15-11-19(3)12-16-22/h7-17,24,30H,5-6,18H2,1-4H3,(H,29,31)
InChIKeyDBJOWLJIFRFBOS-UHFFFAOYSA-N
MW492.64 g/mol
LogP5.92
Rot. Bonds7

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 133219484) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID133219484
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c2ccccc2O1
InChIInChI=1S/C28H32N2O4S/c1-5-28(6-2)18-24(23-9-7-8-10-25(23)34-28)29-27(31)21-14-13-20(4)26(17-21)35(32,33)30-22-15-11-19(3)12-16-22/h7-17,24,30H,5-6,18H2,1-4H3,(H,29,31)
InChIKeyDBJOWLJIFRFBOS-UHFFFAOYSA-N
XLogP5.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133210025
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100712005
4-chloro-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 100518184
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 100761272
4-(benzenesulfonamido)-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100581872
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(phenylsulfanylmethyl)benzamide
CID 100732298
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235513

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 133219484) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is CCC1(CC)CC(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is DBJOWLJIFRFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-5-28(6-2)18-24(23-9-7-8-10-25(23)34-28)29-27(31)21-14-13-20(4)26(17-21)35(32,33)30-22-15-11-19(3)12-16-22/h7-17,24,30H,5-6,18H2,1-4H3,(H,29,31).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 492.64 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 133219484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).