N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide

C18H24N2O3S2 — CID 17436142

IUPACN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14(2)20-25(22,23)13-17-5-3-15(4-6-17)11-19-18(21)8-7-16-9-10-24-12-16/h3-6,9-10,12,14,20H,7-8,11,13H2,1-2H3,(H,19,21)
InChIKeyKKNHSLWUYYMBFS-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.82
Rot. Bonds9

About N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide

N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide (PubChem CID 17436142) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide
PubChem CID17436142
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14(2)20-25(22,23)13-17-5-3-15(4-6-17)11-19-18(21)8-7-16-9-10-24-12-16/h3-6,9-10,12,14,20H,7-8,11,13H2,1-2H3,(H,19,21)
InChIKeyKKNHSLWUYYMBFS-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide 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

3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633590
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
3-(2,5-dimethylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 29290670
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24625349
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 36607705
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide (CID 17436142) is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccsc2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is KKNHSLWUYYMBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-14(2)20-25(22,23)13-17-5-3-15(4-6-17)11-19-18(21)8-7-16-9-10-24-12-16/h3-6,9-10,12,14,20H,7-8,11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide?
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 380.54 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 17436142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).