5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide

C24H32N2O5S — CID 55387703

IUPAC5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C24H32N2O5S/c1-15(2)22(17-8-10-20-21(13-17)31-12-11-30-20)25-23(27)19-14-18(9-7-16(19)3)32(28,29)26-24(4,5)6/h7-10,13-15,22,26H,11-12H2,1-6H3,(H,25,27)
InChIKeyNTHSPGFFVXNOQS-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.97
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide (PubChem CID 55387703) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
PubChem CID55387703
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C24H32N2O5S/c1-15(2)22(17-8-10-20-21(13-17)31-12-11-30-20)25-23(27)19-14-18(9-7-16(19)3)32(28,29)26-24(4,5)6/h7-10,13-15,22,26H,11-12H2,1-6H3,(H,25,27)
InChIKeyNTHSPGFFVXNOQS-UHFFFAOYSA-N
XLogP3.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide 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

5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51324001
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 133165214
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
3-(tert-butylsulfamoylmethyl)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide
CID 52518611
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55501117
4-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-nitrobenzamide
CID 9257723
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-nitrobenzamide
CID 55387773
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
2,5-dichloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide
CID 16563714

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide (CID 55387703) is 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC(c1ccc2c(c1)OCCO2)C(C)C.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide?
The InChIKey is NTHSPGFFVXNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-15(2)22(17-8-10-20-21(13-17)31-12-11-30-20)25-23(27)19-14-18(9-7-16(19)3)32(28,29)26-24(4,5)6/h7-10,13-15,22,26H,11-12H2,1-6H3,(H,25,27).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide has a molecular weight of 460.60 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide is sourced from PubChem (CID 55387703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).