(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C24H24N2O4S — CID 135309685

IUPAC(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(C2CCC2)c2c1[C@H](C(=O)NS(=O)(=O)c1cccc3ncccc13)CC2
InChIInChI=1S/C24H24N2O4S/c1-30-21-13-12-16(15-5-2-6-15)17-10-11-19(23(17)21)24(27)26-31(28,29)22-9-3-8-20-18(22)7-4-14-25-20/h3-4,7-9,12-15,19H,2,5-6,10-11H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyCXCJVJUUIDICSB-LJQANCHMSA-N
MW436.53 g/mol
LogP4.05
Rot. Bonds5

About (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309685) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309685
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(C2CCC2)c2c1[C@H](C(=O)NS(=O)(=O)c1cccc3ncccc13)CC2
InChIInChI=1S/C24H24N2O4S/c1-30-21-13-12-16(15-5-2-6-15)17-10-11-19(23(17)21)24(27)26-31(28,29)22-9-3-8-20-18(22)7-4-14-25-20/h3-4,7-9,12-15,19H,2,5-6,10-11H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyCXCJVJUUIDICSB-LJQANCHMSA-N
XLogP4.05
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189
(3R)-7-cyclobutyl-4-methoxy-N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 135311779
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
(3R)-7-cyclobutyl-4-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylsulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 135311567
4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309781
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

Frequently Asked Questions

What is the IUPAC name of (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309685) is (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(C2CCC2)c2c1[C@H](C(=O)NS(=O)(=O)c1cccc3ncccc13)CC2.
What is the InChIKey of (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is CXCJVJUUIDICSB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-30-21-13-12-16(15-5-2-6-15)17-10-11-19(23(17)21)24(27)26-31(28,29)22-9-3-8-20-18(22)7-4-14-25-20/h3-4,7-9,12-15,19H,2,5-6,10-11H2,1H3,(H,26,27)/t19-/m1/s1.
What are the key properties of (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).