N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide

C20H21F2NO3S — CID 55688025

IUPACN-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21F2NO3S/c1-23(13-16-5-7-17(21)12-19(16)22)20(24)9-10-27(25,26)18-8-6-14-3-2-4-15(14)11-18/h5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyWAEZLMKMUSNNHP-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.28
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide

N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide (PubChem CID 55688025) has the molecular formula C20H21F2NO3S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
PubChem CID55688025
Molecular FormulaC20H21F2NO3S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21F2NO3S/c1-23(13-16-5-7-17(21)12-19(16)22)20(24)9-10-27(25,26)18-8-6-14-3-2-4-15(14)11-18/h5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyWAEZLMKMUSNNHP-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide 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

N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 31840738
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55886990
N-[(3-cyanophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55975322
N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55706970
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide (CID 55688025) is N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide is CN(Cc1ccc(F)cc1F)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
The InChIKey is WAEZLMKMUSNNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3S/c1-23(13-16-5-7-17(21)12-19(16)22)20(24)9-10-27(25,26)18-8-6-14-3-2-4-15(14)11-18/h5-8,11-12H,2-4,9-10,13H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide has a molecular weight of 393.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide is sourced from PubChem (CID 55688025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).