N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide

C14H18N2O4S — CID 110606116

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H18N2O4S/c1-21(19,20)9-7-13(17)15-10-14(18)16-8-6-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyBQTBBNMTMLVNJO-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.13
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide (PubChem CID 110606116) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
PubChem CID110606116
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H18N2O4S/c1-21(19,20)9-7-13(17)15-10-14(18)16-8-6-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyBQTBBNMTMLVNJO-UHFFFAOYSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110606137
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615340
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide (CID 110606116) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide?
The InChIKey is BQTBBNMTMLVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(19,20)9-7-13(17)15-10-14(18)16-8-6-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide has a molecular weight of 310.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110606116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).