3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide

C19H19F2N3O4S — CID 46253964

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)ccc21
InChIInChI=1S/C19H19F2N3O4S/c1-12(25)24-9-7-13-10-15(3-5-18(13)24)29(27,28)22-8-6-19(26)23-17-4-2-14(20)11-16(17)21/h2-5,10-11,22H,6-9H2,1H3,(H,23,26)
InChIKeyNALXXRLOVXMMRE-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.18
Rot. Bonds6

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 46253964) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
PubChem CID46253964
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)ccc21
InChIInChI=1S/C19H19F2N3O4S/c1-12(25)24-9-7-13-10-15(3-5-18(13)24)29(27,28)22-8-6-19(26)23-17-4-2-14(20)11-16(17)21/h2-5,10-11,22H,6-9H2,1H3,(H,23,26)
InChIKeyNALXXRLOVXMMRE-UHFFFAOYSA-N
XLogP2.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
CID 46253995
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 46253982
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361217
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide (CID 46253964) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is NALXXRLOVXMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c1-12(25)24-9-7-13-10-15(3-5-18(13)24)29(27,28)22-8-6-19(26)23-17-4-2-14(20)11-16(17)21/h2-5,10-11,22H,6-9H2,1H3,(H,23,26).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 423.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 46253964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).