4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C17H21N3O4S — CID 135310200

IUPAC4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C17H21N3O4S/c1-10-16(11(2)20(3)18-10)25(22,23)19-17(21)14-9-8-13-12(14)6-5-7-15(13)24-4/h5-7,14H,8-9H2,1-4H3,(H,19,21)
InChIKeyWATNQFUYCOQVRN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.58
Rot. Bonds4

About 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310200) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310200
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C17H21N3O4S/c1-10-16(11(2)20(3)18-10)25(22,23)19-17(21)14-9-8-13-12(14)6-5-7-15(13)24-4/h5-7,14H,8-9H2,1-4H3,(H,19,21)
InChIKeyWATNQFUYCOQVRN-UHFFFAOYSA-N
XLogP1.58
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135310200) is 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is WATNQFUYCOQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-16(11(2)20(3)18-10)25(22,23)19-17(21)14-9-8-13-12(14)6-5-7-15(13)24-4/h5-7,14H,8-9H2,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).