3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide

C24H34N2O5S2 — CID 17312270

IUPAC3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H34N2O5S2/c1-19(2)16-26(17-20(3)4)33(30,31)23-12-10-22(11-13-23)25-24(27)14-15-32(28,29)18-21-8-6-5-7-9-21/h5-13,19-20H,14-18H2,1-4H3,(H,25,27)
InChIKeyMRPZARUNBGKAAH-UHFFFAOYSA-N
MW494.68 g/mol
LogP3.93
Rot. Bonds12

About 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide

3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide (PubChem CID 17312270) has the molecular formula C24H34N2O5S2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
PubChem CID17312270
Molecular FormulaC24H34N2O5S2
Molecular Weight494.68 g/mol
Exact Mass494.19
IUPAC Name3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H34N2O5S2/c1-19(2)16-26(17-20(3)4)33(30,31)23-12-10-22(11-13-23)25-24(27)14-15-32(28,29)18-21-8-6-5-7-9-21/h5-13,19-20H,14-18H2,1-4H3,(H,25,27)
InChIKeyMRPZARUNBGKAAH-UHFFFAOYSA-N
XLogP3.93
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.68
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
CID 17311686
3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide
CID 7354611
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
CID 2226482
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide (CID 17312270) is 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide?
The InChIKey is MRPZARUNBGKAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5S2/c1-19(2)16-26(17-20(3)4)33(30,31)23-12-10-22(11-13-23)25-24(27)14-15-32(28,29)18-21-8-6-5-7-9-21/h5-13,19-20H,14-18H2,1-4H3,(H,25,27).
What are the key properties of 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide?
3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide has a molecular weight of 494.68 g/mol, XLogP of 3.93, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 17312270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).