7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide

C25H25NO3S — CID 135310055

IUPAC7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2cccc(C3CCC3)c21
InChIInChI=1S/C25H25NO3S/c1-25(16-15-19-11-5-13-21(23(19)25)18-8-4-9-18)24(27)26-30(28,29)22-14-6-10-17-7-2-3-12-20(17)22/h2-3,5-7,10-14,18H,4,8-9,15-16H2,1H3,(H,26,27)
InChIKeyJGOCTYWUQDUHQZ-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.82
Rot. Bonds4

About 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide

7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310055) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310055
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2cccc(C3CCC3)c21
InChIInChI=1S/C25H25NO3S/c1-25(16-15-19-11-5-13-21(23(19)25)18-8-4-9-18)24(27)26-30(28,29)22-14-6-10-17-7-2-3-12-20(17)22/h2-3,5-7,10-14,18H,4,8-9,15-16H2,1H3,(H,26,27)
InChIKeyJGOCTYWUQDUHQZ-UHFFFAOYSA-N
XLogP4.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide (CID 135310055) is 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide is CC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2cccc(C3CCC3)c21.
What is the InChIKey of 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is JGOCTYWUQDUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S/c1-25(16-15-19-11-5-13-21(23(19)25)18-8-4-9-18)24(27)26-30(28,29)22-14-6-10-17-7-2-3-12-20(17)22/h2-3,5-7,10-14,18H,4,8-9,15-16H2,1H3,(H,26,27).
What are the key properties of 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).