4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide

C18H19NO4S — CID 135309980

IUPAC4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1cccc2c1CC(C(=O)NS(=O)(=O)c1ccccc1C)C2
InChIInChI=1S/C18H19NO4S/c1-12-6-3-4-9-17(12)24(21,22)19-18(20)14-10-13-7-5-8-16(23-2)15(13)11-14/h3-9,14H,10-11H2,1-2H3,(H,19,20)
InChIKeyDRCXLJWBUODRQC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.22
Rot. Bonds4

About 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide

4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 135309980) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID135309980
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1cccc2c1CC(C(=O)NS(=O)(=O)c1ccccc1C)C2
InChIInChI=1S/C18H19NO4S/c1-12-6-3-4-9-17(12)24(21,22)19-18(20)14-10-13-7-5-8-16(23-2)15(13)11-14/h3-9,14H,10-11H2,1-2H3,(H,19,20)
InChIKeyDRCXLJWBUODRQC-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
(2-methylphenyl)sulfonylurea
CID 20975378
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide
CID 84597902
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide (CID 135309980) is 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide is COc1cccc2c1CC(C(=O)NS(=O)(=O)c1ccccc1C)C2.
What is the InChIKey of 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is DRCXLJWBUODRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-12-6-3-4-9-17(12)24(21,22)19-18(20)14-10-13-7-5-8-16(23-2)15(13)11-14/h3-9,14H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 135309980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).