4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C16H22N2O2S3 — CID 170091244

IUPAC4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)SC(C)(C)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H22N2O2S3/c1-12(2)22-16(3,4)11-13-5-7-14(8-6-13)23(19,20)18-15-17-9-10-21-15/h5-10,12H,11H2,1-4H3,(H,17,18)
InChIKeyLCZFRBBOZURWCY-UHFFFAOYSA-N
MW370.57 g/mol
LogP4.41
Rot. Bonds7

About 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 170091244) has the molecular formula C16H22N2O2S3 and a molecular weight of 370.57 g/mol. Its IUPAC name is 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID170091244
Molecular FormulaC16H22N2O2S3
Molecular Weight370.57 g/mol
Exact Mass370.08
IUPAC Name4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)SC(C)(C)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H22N2O2S3/c1-12(2)22-16(3,4)11-13-5-7-14(8-6-13)23(19,20)18-15-17-9-10-21-15/h5-10,12H,11H2,1-4H3,(H,17,18)
InChIKeyLCZFRBBOZURWCY-UHFFFAOYSA-N
XLogP4.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide 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

4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19221513
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823787

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 170091244) is 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)SC(C)(C)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LCZFRBBOZURWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S3/c1-12(2)22-16(3,4)11-13-5-7-14(8-6-13)23(19,20)18-15-17-9-10-21-15/h5-10,12H,11H2,1-4H3,(H,17,18).
What are the key properties of 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 370.57 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 170091244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).