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

C19H21NO4S — CID 135309852

IUPAC(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCC[C@H]2C(=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)/t16-/m1/s1
InChIKeyAYPRRSDRQNMQPL-MRXNPFEDSA-N
MW359.45 g/mol
LogP2.93
Rot. Bonds4

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

(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 135309852) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID135309852
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCC[C@H]2C(=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)/t16-/m1/s1
InChIKeyAYPRRSDRQNMQPL-MRXNPFEDSA-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 (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 135309852) is (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCC[C@H]2C(=O)NS(=O)(=O)c1ccccc1C.
What is the InChIKey of (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is AYPRRSDRQNMQPL-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-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 (1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 135309852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).