N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide

C24H34N2O3S2 — CID 17224668

IUPACN-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1
InChIInChI=1S/C24H34N2O3S2/c1-5-7-17-26(18-8-6-2)31(28,29)21-15-13-20(14-16-21)25-24(27)22-11-9-10-12-23(22)30-19(3)4/h9-16,19H,5-8,17-18H2,1-4H3,(H,25,27)
InChIKeyUXDCNDQLIWLITC-UHFFFAOYSA-N
MW462.68 g/mol
LogP6.03
Rot. Bonds12

About N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide

N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 17224668) has the molecular formula C24H34N2O3S2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID17224668
Molecular FormulaC24H34N2O3S2
Molecular Weight462.68 g/mol
Exact Mass462.20
IUPAC NameN-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1
InChIInChI=1S/C24H34N2O3S2/c1-5-7-17-26(18-8-6-2)31(28,29)21-15-13-20(14-16-21)25-24(27)22-11-9-10-12-23(22)30-19(3)4/h9-16,19H,5-8,17-18H2,1-4H3,(H,25,27)
InChIKeyUXDCNDQLIWLITC-UHFFFAOYSA-N
XLogP6.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide 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

N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675

Frequently Asked Questions

What is the IUPAC name of N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide (CID 17224668) is N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1.
What is the InChIKey of N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is UXDCNDQLIWLITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S2/c1-5-7-17-26(18-8-6-2)31(28,29)21-15-13-20(14-16-21)25-24(27)22-11-9-10-12-23(22)30-19(3)4/h9-16,19H,5-8,17-18H2,1-4H3,(H,25,27).
What are the key properties of N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 462.68 g/mol, XLogP of 6.03, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 17224668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).