2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide

C19H23N3O3S — CID 75494168

IUPAC2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-14(22-12-11-16-5-3-4-6-18(16)22)19(23)21-17-9-7-15(8-10-17)13-20-26(2,24)25/h3-10,14,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyHKWJHKUIBZHQJT-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.13
Rot. Bonds6

About 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide

2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide (PubChem CID 75494168) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
PubChem CID75494168
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-14(22-12-11-16-5-3-4-6-18(16)22)19(23)21-17-9-7-15(8-10-17)13-20-26(2,24)25/h3-10,14,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyHKWJHKUIBZHQJT-UHFFFAOYSA-N
XLogP2.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432032
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096
(2R)-2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7998746
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 16792940
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide (CID 75494168) is 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide?
The InChIKey is HKWJHKUIBZHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14(22-12-11-16-5-3-4-6-18(16)22)19(23)21-17-9-7-15(8-10-17)13-20-26(2,24)25/h3-10,14,20H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide?
2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide has a molecular weight of 373.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide is sourced from PubChem (CID 75494168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).