N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide

C23H21F2NO3S2 — CID 55886990

IUPACN-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N(Cc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C23H21F2NO3S2/c24-18-7-9-22(21(25)14-18)26(15-19-5-2-11-30-19)23(27)10-12-31(28,29)20-8-6-16-3-1-4-17(16)13-20/h2,5-9,11,13-14H,1,3-4,10,12,15H2
InChIKeyFESFCXZDTDYXJE-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.91
Rot. Bonds7

About N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide

N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55886990) has the molecular formula C23H21F2NO3S2 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55886990
Molecular FormulaC23H21F2NO3S2
Molecular Weight461.56 g/mol
Exact Mass461.09
IUPAC NameN-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N(Cc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C23H21F2NO3S2/c24-18-7-9-22(21(25)14-18)26(15-19-5-2-11-30-19)23(27)10-12-31(28,29)20-8-6-16-3-1-4-17(16)13-20/h2,5-9,11,13-14H,1,3-4,10,12,15H2
InChIKeyFESFCXZDTDYXJE-UHFFFAOYSA-N
XLogP4.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide 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]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55688025
4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60533915
N-(2,4-difluorophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 75526110
N-(2,4-difluorophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55887242
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]propanamide
CID 97011943
N-[(3-cyanophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55975322
N-(2,4-difluorophenyl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 55888136
(3S)-N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 96543522
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55686800

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide (CID 55886990) is N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N(Cc1cccs1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FESFCXZDTDYXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO3S2/c24-18-7-9-22(21(25)14-18)26(15-19-5-2-11-30-19)23(27)10-12-31(28,29)20-8-6-16-3-1-4-17(16)13-20/h2,5-9,11,13-14H,1,3-4,10,12,15H2.
What are the key properties of N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 461.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55886990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).