4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide

C16H21NO5S — CID 135309984

IUPAC4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C16H21NO5S/c1-21-15-4-2-3-12-13(15)5-6-14(12)16(18)17-23(19,20)11-7-9-22-10-8-11/h2-4,11,14H,5-10H2,1H3,(H,17,18)
InChIKeyKHYIQWWFPXVXDA-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.35
Rot. Bonds4

About 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide

4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309984) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309984
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C16H21NO5S/c1-21-15-4-2-3-12-13(15)5-6-14(12)16(18)17-23(19,20)11-7-9-22-10-8-11/h2-4,11,14H,5-10H2,1H3,(H,17,18)
InChIKeyKHYIQWWFPXVXDA-UHFFFAOYSA-N
XLogP1.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310200
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310096
4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310029
N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310065
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-[4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]phenyl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135309780
N-(oxan-4-ylsulfonyl)benzamide
CID 47479884
1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
CID 139785240
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide (CID 135309984) is 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is KHYIQWWFPXVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-21-15-4-2-3-12-13(15)5-6-14(12)16(18)17-23(19,20)11-7-9-22-10-8-11/h2-4,11,14H,5-10H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide?
4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).