5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H21NO4S — CID 135310155

IUPAC5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C19H21NO4S/c1-13-7-3-4-12-18(13)25(22,23)20-19(21)16-10-5-9-15-14(16)8-6-11-17(15)24-2/h3-4,6-8,11-12,16H,5,9-10H2,1-2H3,(H,20,21)
InChIKeyAYPRRSDRQNMQPL-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.93
Rot. Bonds4

About 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 135310155) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID135310155
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C19H21NO4S/c1-13-7-3-4-12-18(13)25(22,23)20-19(21)16-10-5-9-15-14(16)8-6-11-17(15)24-2/h3-4,6-8,11-12,16H,5,9-10H2,1-2H3,(H,20,21)
InChIKeyAYPRRSDRQNMQPL-UHFFFAOYSA-N
XLogP2.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 135310155) is 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)NS(=O)(=O)c1ccccc1C.
What is the InChIKey of 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is AYPRRSDRQNMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13-7-3-4-12-18(13)25(22,23)20-19(21)16-10-5-9-15-14(16)8-6-11-17(15)24-2/h3-4,6-8,11-12,16H,5,9-10H2,1-2H3,(H,20,21).
What are the key properties of 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 135310155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).