(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide

C22H19NO2S — CID 11901321

IUPAC(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
SMILESCc1ccc(N(Cc2ccco2)[S@](=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19NO2S/c1-17-8-11-20(12-9-17)23(16-21-7-4-14-25-21)26(24)22-13-10-18-5-2-3-6-19(18)15-22/h2-15H,16H2,1H3/t26-/m1/s1
InChIKeyUGVIPVSCQJSFEJ-AREMUKBSSA-N
MW361.47 g/mol
LogP5.47
Rot. Bonds5

About (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide

(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide (PubChem CID 11901321) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
PubChem CID11901321
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
SMILESCc1ccc(N(Cc2ccco2)[S@](=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19NO2S/c1-17-8-11-20(12-9-17)23(16-21-7-4-14-25-21)26(24)22-13-10-18-5-2-3-6-19(18)15-22/h2-15H,16H2,1H3/t26-/m1/s1
InChIKeyUGVIPVSCQJSFEJ-AREMUKBSSA-N
XLogP5.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
The IUPAC name of (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide (CID 11901321) is (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide.
What is the SMILES notation for (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
The canonical SMILES for (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide is Cc1ccc(N(Cc2ccco2)[S@](=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
The InChIKey is UGVIPVSCQJSFEJ-AREMUKBSSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-17-8-11-20(12-9-17)23(16-21-7-4-14-25-21)26(24)22-13-10-18-5-2-3-6-19(18)15-22/h2-15H,16H2,1H3/t26-/m1/s1.
What are the key properties of (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide has a molecular weight of 361.47 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide is sourced from PubChem (CID 11901321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).