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

C20H20F2N2O4S — CID 3236119

IUPACN-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C20H20F2N2O4S/c1-2-20(26)24-9-7-13-11-15(4-6-18(13)24)29(27,28)10-8-19(25)23-14-3-5-16(21)17(22)12-14/h3-6,11-12H,2,7-10H2,1H3,(H,23,25)
InChIKeyCOJSUUZOCRHKQV-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.07
Rot. Bonds6

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

N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 3236119) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID3236119
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC NameN-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C20H20F2N2O4S/c1-2-20(26)24-9-7-13-11-15(4-6-18(13)24)29(27,28)10-8-19(25)23-14-3-5-16(21)17(22)12-14/h3-6,11-12H,2,7-10H2,1H3,(H,23,25)
InChIKeyCOJSUUZOCRHKQV-UHFFFAOYSA-N
XLogP3.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 3236119) is N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is COJSUUZOCRHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c1-2-20(26)24-9-7-13-11-15(4-6-18(13)24)29(27,28)10-8-19(25)23-14-3-5-16(21)17(22)12-14/h3-6,11-12H,2,7-10H2,1H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 422.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 3236119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).