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

C22H19NO2S — CID 11901322

IUPAC(S)-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-/m0/s1
InChIKeyUGVIPVSCQJSFEJ-SANMLTNESA-N
MW361.47 g/mol
LogP5.47
Rot. Bonds5

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

(S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide (PubChem CID 11901322) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
PubChem CID11901322
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name(S)-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-/m0/s1
InChIKeyUGVIPVSCQJSFEJ-SANMLTNESA-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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Related Compounds

(R)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide
CID 11901321
3-(furan-2-yl)-N-methyl-N-naphthalen-2-ylpropanamide
CID 8851932
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline
CID 3797697
N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3508560
2-[[methyl(sulfinato)amino]methyl]furan
CID 57032759
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3544918
2-[(4-chloro-3-sulfamoyl-N-sulfinatoanilino)methyl]furan
CID 54291405
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30711551
N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 86910738
N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 75853603

Frequently Asked Questions

What is the IUPAC name of (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
The IUPAC name of (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide (CID 11901322) is (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide.
What is the SMILES notation for (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
The canonical SMILES for (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide is Cc1ccc(N(Cc2ccco2)[S@@](=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
The InChIKey is UGVIPVSCQJSFEJ-SANMLTNESA-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-/m0/s1.
What are the key properties of (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide?
(S)-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 (S)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)naphthalene-2-sulfinamide is sourced from PubChem (CID 11901322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).