N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

C21H24N2O4S — CID 42924269

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC2CCc3ccccc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N2O4S/c1-27-19-11-9-16(14-20(19)28(25,26)23-12-4-5-13-23)21(24)22-18-10-8-15-6-2-3-7-17(15)18/h2-3,6-7,9,11,14,18H,4-5,8,10,12-13H2,1H3,(H,22,24)
InChIKeyNFOAICSZVWDVNO-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.90
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 42924269) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID42924269
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC2CCc3ccccc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N2O4S/c1-27-19-11-9-16(14-20(19)28(25,26)23-12-4-5-13-23)21(24)22-18-10-8-15-6-2-3-7-17(15)18/h2-3,6-7,9,11,14,18H,4-5,8,10,12-13H2,1H3,(H,22,24)
InChIKeyNFOAICSZVWDVNO-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40985121
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 41258859
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24560488
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
CID 20649308
4-fluoro-3-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450774
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 40834105
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551622
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86949752

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 42924269) is N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)NC2CCc3ccccc32)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NFOAICSZVWDVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-19-11-9-16(14-20(19)28(25,26)23-12-4-5-13-23)21(24)22-18-10-8-15-6-2-3-7-17(15)18/h2-3,6-7,9,11,14,18H,4-5,8,10,12-13H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 42924269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).