(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C25H26N2O4S — CID 135310308

IUPAC(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(C2CCC2)c2c1[C@H](C(=O)NS(=O)(=O)c1cccc3nc(C)ccc13)CC2
InChIInChI=1S/C25H26N2O4S/c1-15-9-10-19-21(26-15)7-4-8-23(19)32(29,30)27-25(28)20-12-11-18-17(16-5-3-6-16)13-14-22(31-2)24(18)20/h4,7-10,13-14,16,20H,3,5-6,11-12H2,1-2H3,(H,27,28)/t20-/m1/s1
InChIKeyKJAVTUQMUZFWFO-HXUWFJFHSA-N
MW450.56 g/mol
LogP4.35
Rot. Bonds5

About (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310308) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310308
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(C2CCC2)c2c1[C@H](C(=O)NS(=O)(=O)c1cccc3nc(C)ccc13)CC2
InChIInChI=1S/C25H26N2O4S/c1-15-9-10-19-21(26-15)7-4-8-23(19)32(29,30)27-25(28)20-12-11-18-17(16-5-3-6-16)13-14-22(31-2)24(18)20/h4,7-10,13-14,16,20H,3,5-6,11-12H2,1-2H3,(H,27,28)/t20-/m1/s1
InChIKeyKJAVTUQMUZFWFO-HXUWFJFHSA-N
XLogP4.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
(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
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
(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-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309781
cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 167151892
(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-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571398

Frequently Asked Questions

What is the IUPAC name of (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135310308) is (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(C2CCC2)c2c1[C@H](C(=O)NS(=O)(=O)c1cccc3nc(C)ccc13)CC2.
What is the InChIKey of (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is KJAVTUQMUZFWFO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-15-9-10-19-21(26-15)7-4-8-23(19)32(29,30)27-25(28)20-12-11-18-17(16-5-3-6-16)13-14-22(31-2)24(18)20/h4,7-10,13-14,16,20H,3,5-6,11-12H2,1-2H3,(H,27,28)/t20-/m1/s1.
What are the key properties of (1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.35, 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-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).