N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide

C27H30N2O4S — CID 133210025

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2O1
InChIInChI=1S/C27H30N2O4S/c1-4-27(5-2)18-23(22-13-9-10-14-24(22)33-27)28-26(30)20-16-15-19(3)25(17-20)34(31,32)29-21-11-7-6-8-12-21/h6-17,23,29H,4-5,18H2,1-3H3,(H,28,30)
InChIKeyQKIRCZHDYHZLGQ-UHFFFAOYSA-N
MW478.61 g/mol
LogP5.61
Rot. Bonds7

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 133210025) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID133210025
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2O1
InChIInChI=1S/C27H30N2O4S/c1-4-27(5-2)18-23(22-13-9-10-14-24(22)33-27)28-26(30)20-16-15-19(3)25(17-20)34(31,32)29-21-11-7-6-8-12-21/h6-17,23,29H,4-5,18H2,1-3H3,(H,28,30)
InChIKeyQKIRCZHDYHZLGQ-UHFFFAOYSA-N
XLogP5.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 55.61
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-[(4-methylphenyl)sulfamoyl]benzamide
CID 133219484
4-chloro-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 100518184
4-(benzenesulfonamido)-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100581872
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100712005
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
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-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 100761272
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235513
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209996
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide (CID 133210025) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide is CCC1(CC)CC(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is QKIRCZHDYHZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-4-27(5-2)18-23(22-13-9-10-14-24(22)33-27)28-26(30)20-16-15-19(3)25(17-20)34(31,32)29-21-11-7-6-8-12-21/h6-17,23,29H,4-5,18H2,1-3H3,(H,28,30).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 478.61 g/mol, XLogP of 5.61, 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-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 133210025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).