5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide

C23H28N2O4S — CID 55457966

IUPAC5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C23H28N2O4S/c1-29-22-13-11-18(30(27,28)25-14-6-2-3-7-15-25)16-20(22)23(26)24-21-12-10-17-8-4-5-9-19(17)21/h4-5,8-9,11,13,16,21H,2-3,6-7,10,12,14-15H2,1H3,(H,24,26)
InChIKeyIIBGPGXDMRYLCG-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.68
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide

5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide (PubChem CID 55457966) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
PubChem CID55457966
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C23H28N2O4S/c1-29-22-13-11-18(30(27,28)25-14-6-2-3-7-15-25)16-20(22)23(26)24-21-12-10-17-8-4-5-9-19(17)21/h4-5,8-9,11,13,16,21H,2-3,6-7,10,12,14-15H2,1H3,(H,24,26)
InChIKeyIIBGPGXDMRYLCG-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43873029
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561402
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450981
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112766000
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559494

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide (CID 55457966) is 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide?
The InChIKey is IIBGPGXDMRYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-29-22-13-11-18(30(27,28)25-14-6-2-3-7-15-25)16-20(22)23(26)24-21-12-10-17-8-4-5-9-19(17)21/h4-5,8-9,11,13,16,21H,2-3,6-7,10,12,14-15H2,1H3,(H,24,26).
What are the key properties of 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide?
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide has a molecular weight of 428.55 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide is sourced from PubChem (CID 55457966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).