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

C22H26N2O4S — CID 3243002

IUPACN-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)ccc21
InChIInChI=1S/C22H26N2O4S/c1-3-16-5-7-18(8-6-16)23-21(25)12-14-29(27,28)19-9-10-20-17(15-19)11-13-24(20)22(26)4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyIVJLDPVXLZYJRA-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.35
Rot. Bonds7

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

N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 3243002) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID3243002
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)ccc21
InChIInChI=1S/C22H26N2O4S/c1-3-16-5-7-18(8-6-16)23-21(25)12-14-29(27,28)19-9-10-20-17(15-19)11-13-24(20)22(26)4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyIVJLDPVXLZYJRA-UHFFFAOYSA-N
XLogP3.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 3243002) is N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)ccc21.
What is the InChIKey of N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is IVJLDPVXLZYJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-3-16-5-7-18(8-6-16)23-21(25)12-14-29(27,28)19-9-10-20-17(15-19)11-13-24(20)22(26)4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 414.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 3243002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).