3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide

C18H22F2N2O3S2 — CID 55976936

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
SMILESCC(C)CC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C18H22F2N2O3S2/c1-12(2)10-16(17-4-3-9-26-17)22-18(23)7-8-21-27(24,25)13-5-6-14(19)15(20)11-13/h3-6,9,11-12,16,21H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyZXLOWCWLAKRINH-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.60
Rot. Bonds9

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide (PubChem CID 55976936) has the molecular formula C18H22F2N2O3S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
PubChem CID55976936
Molecular FormulaC18H22F2N2O3S2
Molecular Weight416.52 g/mol
Exact Mass416.10
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
SMILESCC(C)CC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C18H22F2N2O3S2/c1-12(2)10-16(17-4-3-9-26-17)22-18(23)7-8-21-27(24,25)13-5-6-14(19)15(20)11-13/h3-6,9,11-12,16,21H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyZXLOWCWLAKRINH-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide 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-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(4-chlorophenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
CID 24543595
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 43011602
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide (CID 55976936) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide is CC(C)CC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1cccs1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
The InChIKey is ZXLOWCWLAKRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3S2/c1-12(2)10-16(17-4-3-9-26-17)22-18(23)7-8-21-27(24,25)13-5-6-14(19)15(20)11-13/h3-6,9,11-12,16,21H,7-8,10H2,1-2H3,(H,22,23).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide has a molecular weight of 416.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 55976936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).