N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C16H19N3O4S — CID 113157883

IUPACN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(N(CC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)no1
InChIInChI=1S/C16H19N3O4S/c1-11-8-13-6-4-5-7-14(13)19(11)16(20)10-18(24(3,21)22)15-9-12(2)23-17-15/h4-7,9,11H,8,10H2,1-3H3
InChIKeyPDBWKENRZLAGHJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 113157883) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID113157883
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(N(CC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)no1
InChIInChI=1S/C16H19N3O4S/c1-11-8-13-6-4-5-7-14(13)19(11)16(20)10-18(24(3,21)22)15-9-12(2)23-17-15/h4-7,9,11H,8,10H2,1-3H3
InChIKeyPDBWKENRZLAGHJ-UHFFFAOYSA-N
XLogP1.73
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 43900265
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 42922545
N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-N-(2-methylphenyl)methanesulfonamide
CID 100628004
N-(3-methoxypropyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149574
N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142657
N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143849
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110427435
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 30850541
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 124560578
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 113157883) is N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(N(CC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)no1.
What is the InChIKey of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is PDBWKENRZLAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-8-13-6-4-5-7-14(13)19(11)16(20)10-18(24(3,21)22)15-9-12(2)23-17-15/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 113157883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).