N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide

C20H22N2O2S2 — CID 108782465

IUPACN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C20H22N2O2S2/c1-2-3-12-26(23,24)21-14-16-8-7-11-18(13-16)20-22-19(15-25-20)17-9-5-4-6-10-17/h4-11,13,15,21H,2-3,12,14H2,1H3
InChIKeyLEZVMIKJJWXDMG-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.70
Rot. Bonds8

About N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide (PubChem CID 108782465) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
PubChem CID108782465
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C20H22N2O2S2/c1-2-3-12-26(23,24)21-14-16-8-7-11-18(13-16)20-22-19(15-25-20)17-9-5-4-6-10-17/h4-11,13,15,21H,2-3,12,14H2,1H3
InChIKeyLEZVMIKJJWXDMG-UHFFFAOYSA-N
XLogP4.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide 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-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108738584
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774062
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
3-chloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 108775820
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide (CID 108782465) is N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide?
The InChIKey is LEZVMIKJJWXDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-2-3-12-26(23,24)21-14-16-8-7-11-18(13-16)20-22-19(15-25-20)17-9-5-4-6-10-17/h4-11,13,15,21H,2-3,12,14H2,1H3.
What are the key properties of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide?
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide has a molecular weight of 386.54 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 108782465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).