4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C17H21N3O5S — CID 135310124

IUPAC4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOCCn1cc(S(=O)(=O)NC(=O)C2CCc3c(OC)cccc32)cn1
InChIInChI=1S/C17H21N3O5S/c1-24-9-8-20-11-12(10-18-20)26(22,23)19-17(21)15-7-6-14-13(15)4-3-5-16(14)25-2/h3-5,10-11,15H,6-9H2,1-2H3,(H,19,21)
InChIKeyXFHDJSNSWVNMDE-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.07
Rot. Bonds7

About 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310124) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310124
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOCCn1cc(S(=O)(=O)NC(=O)C2CCc3c(OC)cccc32)cn1
InChIInChI=1S/C17H21N3O5S/c1-24-9-8-20-11-12(10-18-20)26(22,23)19-17(21)15-7-6-14-13(15)4-3-5-16(14)25-2/h3-5,10-11,15H,6-9H2,1-2H3,(H,19,21)
InChIKeyXFHDJSNSWVNMDE-UHFFFAOYSA-N
XLogP1.07
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135310124) is 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COCCn1cc(S(=O)(=O)NC(=O)C2CCc3c(OC)cccc32)cn1.
What is the InChIKey of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is XFHDJSNSWVNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-9-8-20-11-12(10-18-20)26(22,23)19-17(21)15-7-6-14-13(15)4-3-5-16(14)25-2/h3-5,10-11,15H,6-9H2,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).