4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C21H20N2O5S — CID 135310046

IUPAC4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(OC)c2c1CCC2C(=O)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C21H20N2O5S/c1-27-17-10-11-18(28-2)20-14(17)8-9-15(20)21(24)23-29(25,26)19-7-3-6-16-13(19)5-4-12-22-16/h3-7,10-12,15H,8-9H2,1-2H3,(H,23,24)
InChIKeyVRTWNTVDPQUHBV-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.79
Rot. Bonds5

About 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310046) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310046
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(OC)c2c1CCC2C(=O)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C21H20N2O5S/c1-27-17-10-11-18(28-2)20-14(17)8-9-15(20)21(24)23-29(25,26)19-7-3-6-16-13(19)5-4-12-22-16/h3-7,10-12,15H,8-9H2,1-2H3,(H,23,24)
InChIKeyVRTWNTVDPQUHBV-UHFFFAOYSA-N
XLogP2.79
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309781
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309977
(4S)-8-cyano-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313383
4-chloro-N-quinolin-5-ylsulfonylbenzamide
CID 154806109
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135310046) is 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(OC)c2c1CCC2C(=O)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is VRTWNTVDPQUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-17-10-11-18(28-2)20-14(17)8-9-15(20)21(24)23-29(25,26)19-7-3-6-16-13(19)5-4-12-22-16/h3-7,10-12,15H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).