4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

C20H23NO4S — CID 167659779

IUPAC4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)cc1
InChIInChI=1S/C20H23NO4S/c1-14-3-9-18-16(13-14)6-10-19(18)21-20(22)15-4-7-17(8-5-15)26(23,24)12-11-25-2/h3-5,7-9,13,19H,6,10-12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyJVCPVHKSIHLEDZ-LJQANCHMSA-N
MW373.47 g/mol
LogP2.83
Rot. Bonds6

About 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 167659779) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID167659779
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)cc1
InChIInChI=1S/C20H23NO4S/c1-14-3-9-18-16(13-14)6-10-19(18)21-20(22)15-4-7-17(8-5-15)26(23,24)12-11-25-2/h3-5,7-9,13,19H,6,10-12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyJVCPVHKSIHLEDZ-LJQANCHMSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167535377
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
2-hydroxy-6-methoxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581888
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (CID 167659779) is 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is COCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is JVCPVHKSIHLEDZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-14-3-9-18-16(13-14)6-10-19(18)21-20(22)15-4-7-17(8-5-15)26(23,24)12-11-25-2/h3-5,7-9,13,19H,6,10-12H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 373.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 167659779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).