N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C23H23N3O5S — CID 55466716

IUPACN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H23N3O5S/c1-15-12-17-13-16(9-10-21(17)26(15)32(2,29)30)22(27)25-20-8-4-3-7-19(20)23(28)24-14-18-6-5-11-31-18/h3-11,13,15H,12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDLQCYMMTHZUHMC-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55466716) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55466716
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H23N3O5S/c1-15-12-17-13-16(9-10-21(17)26(15)32(2,29)30)22(27)25-20-8-4-3-7-19(20)23(28)24-14-18-6-5-11-31-18/h3-11,13,15H,12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDLQCYMMTHZUHMC-UHFFFAOYSA-N
XLogP3.17
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(furan-2-ylmethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9034464
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
(2R)-N-(furan-2-ylmethyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27739678
(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236152
(2S)-N-(2-ethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603014
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
methyl 2-hydroxy-3-[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 56543155
(2R)-N'-(2-chlorobenzoyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9037439
N-(furan-2-ylmethyl)-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109060522
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55466716) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DLQCYMMTHZUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-15-12-17-13-16(9-10-21(17)26(15)32(2,29)30)22(27)25-20-8-4-3-7-19(20)23(28)24-14-18-6-5-11-31-18/h3-11,13,15H,12,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55466716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).