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

C22H27N3O4S — CID 3238632

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(C)cc3)ccc21
InChIInChI=1S/C22H27N3O4S/c1-16-3-5-18(6-4-16)9-12-23-22(27)10-13-24-30(28,29)20-7-8-21-19(15-20)11-14-25(21)17(2)26/h3-8,15,24H,9-14H2,1-2H3,(H,23,27)
InChIKeyWHDYYFBXXCCNBV-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.93
Rot. Bonds8

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

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 3238632) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID3238632
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(C)cc3)ccc21
InChIInChI=1S/C22H27N3O4S/c1-16-3-5-18(6-4-16)9-12-23-22(27)10-13-24-30(28,29)20-7-8-21-19(15-20)11-14-25(21)17(2)26/h3-8,15,24H,9-14H2,1-2H3,(H,23,27)
InChIKeyWHDYYFBXXCCNBV-UHFFFAOYSA-N
XLogP1.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide (CID 3238632) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(C)cc3)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is WHDYYFBXXCCNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16-3-5-18(6-4-16)9-12-23-22(27)10-13-24-30(28,29)20-7-8-21-19(15-20)11-14-25(21)17(2)26/h3-8,15,24H,9-14H2,1-2H3,(H,23,27).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 429.54 g/mol, XLogP of 1.93, 8 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-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 3238632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).