2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide

C15H21F2N3O4S — CID 46655347

IUPAC2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O4S/c1-3-7-18-15(22)10(2)20-14(21)6-8-19-25(23,24)11-4-5-12(16)13(17)9-11/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZZULPBUSLDYTFG-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.66
Rot. Bonds9

About 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide

2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide (PubChem CID 46655347) has the molecular formula C15H21F2N3O4S and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
PubChem CID46655347
Molecular FormulaC15H21F2N3O4S
Molecular Weight377.41 g/mol
Exact Mass377.12
IUPAC Name2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O4S/c1-3-7-18-15(22)10(2)20-14(21)6-8-19-25(23,24)11-4-5-12(16)13(17)9-11/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZZULPBUSLDYTFG-UHFFFAOYSA-N
XLogP0.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 17411620
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 8751709
N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 43011602
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
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
CID 55976936

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide?
The IUPAC name of 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide (CID 46655347) is 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide?
The canonical SMILES for 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide?
The InChIKey is ZZULPBUSLDYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O4S/c1-3-7-18-15(22)10(2)20-14(21)6-8-19-25(23,24)11-4-5-12(16)13(17)9-11/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide?
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide has a molecular weight of 377.41 g/mol, XLogP of 0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide is sourced from PubChem (CID 46655347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).