3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide

C19H21F2N3O4S — CID 24543919

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O4S/c1-2-13-5-3-4-6-17(13)24-19(26)12-22-18(25)9-10-23-29(27,28)14-7-8-15(20)16(21)11-14/h3-8,11,23H,2,9-10,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyNYFJKJZPJYREBC-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.95
Rot. Bonds9

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide (PubChem CID 24543919) has the molecular formula C19H21F2N3O4S and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
PubChem CID24543919
Molecular FormulaC19H21F2N3O4S
Molecular Weight425.46 g/mol
Exact Mass425.12
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O4S/c1-2-13-5-3-4-6-17(13)24-19(26)12-22-18(25)9-10-23-29(27,28)14-7-8-15(20)16(21)11-14/h3-8,11,23H,2,9-10,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyNYFJKJZPJYREBC-UHFFFAOYSA-N
XLogP1.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide (CID 24543919) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide is CCc1ccccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
The InChIKey is NYFJKJZPJYREBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4S/c1-2-13-5-3-4-6-17(13)24-19(26)12-22-18(25)9-10-23-29(27,28)14-7-8-15(20)16(21)11-14/h3-8,11,23H,2,9-10,12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide has a molecular weight of 425.46 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 24543919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).