N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide

C21H24N2O4S — CID 55706970

IUPACN-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24N2O4S/c1-23(15-20(24)22-18-8-3-2-4-9-18)21(25)12-13-28(26,27)19-11-10-16-6-5-7-17(16)14-19/h2-4,8-11,14H,5-7,12-13,15H2,1H3,(H,22,24)
InChIKeyKLXKFIYIMBHUGH-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.44
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide

N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide (PubChem CID 55706970) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
PubChem CID55706970
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24N2O4S/c1-23(15-20(24)22-18-8-3-2-4-9-18)21(25)12-13-28(26,27)19-11-10-16-6-5-7-17(16)14-19/h2-4,8-11,14H,5-7,12-13,15H2,1H3,(H,22,24)
InChIKeyKLXKFIYIMBHUGH-UHFFFAOYSA-N
XLogP2.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-anilino-2-oxoethyl)-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

3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 55687062
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55688025
N-[(3-cyanophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55975322
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
CID 63307722
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide (CID 55706970) is N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide is CN(CC(=O)Nc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
The InChIKey is KLXKFIYIMBHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-23(15-20(24)22-18-8-3-2-4-9-18)21(25)12-13-28(26,27)19-11-10-16-6-5-7-17(16)14-19/h2-4,8-11,14H,5-7,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide?
N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide is sourced from PubChem (CID 55706970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).