(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide

C30H26N2O3S — CID 135008594

IUPAC(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide
SMILESCc1ccc([C@@H]2C=C(c3ccccc3)O/C(=N\S(=O)(=O)c3ccc(C)cc3)N2c2ccccc2)cc1
InChIInChI=1S/C30H26N2O3S/c1-22-13-17-24(18-14-22)28-21-29(25-9-5-3-6-10-25)35-30(32(28)26-11-7-4-8-12-26)31-36(33,34)27-19-15-23(2)16-20-27/h3-21,28H,1-2H3/b31-30-/t28-/m0/s1
InChIKeyADZVRUVPFPJCRU-AGKRGSABSA-N
MW494.62 g/mol
LogP6.67
Rot. Bonds5

About (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide

(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide (PubChem CID 135008594) has the molecular formula C30H26N2O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide
PubChem CID135008594
Molecular FormulaC30H26N2O3S
Molecular Weight494.62 g/mol
Exact Mass494.17
IUPAC Name(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide
SMILESCc1ccc([C@@H]2C=C(c3ccccc3)O/C(=N\S(=O)(=O)c3ccc(C)cc3)N2c2ccccc2)cc1
InChIInChI=1S/C30H26N2O3S/c1-22-13-17-24(18-14-22)28-21-29(25-9-5-3-6-10-25)35-30(32(28)26-11-7-4-8-12-26)31-36(33,34)27-19-15-23(2)16-20-27/h3-21,28H,1-2H3/b31-30-/t28-/m0/s1
InChIKeyADZVRUVPFPJCRU-AGKRGSABSA-N
XLogP6.67
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[3-(4-methoxyphenyl)-4,6-diphenyl-4H-1,3-oxazin-2-ylidene]-4-methylbenzenesulfonamide
CID 135068633
(NZ)-N-[(3R,4S)-3-(4-bromophenyl)-1,4-diphenylazetidin-2-ylidene]-4-methylbenzenesulfonamide
CID 11663736
4-methyl-N-[3-(4-methylphenyl)-1,4,8-triphenyl-7-oxa-1,2-diazaspiro[4.4]nona-2,8-dien-6-ylidene]benzenesulfonamide
CID 175911792
3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
CID 609974
(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide
CID 12686867
4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
4-methyl-N-[(3E)-3-(4-methylphenyl)sulfonylimino-2,4-diphenylcyclobuten-1-yl]benzenesulfonimidic acid
CID 57338971
4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide
CID 70423870
(NE)-4-methyl-N-[1-(4-methylphenyl)-6-oxo-4,5-diphenyl-5H-pyrimidin-2-ylidene]benzenesulfonamide
CID 10505796
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
(2S,3S)-2,3-bis(4-chlorophenyl)-5-(4-methylphenyl)-1,4,7-triphenyl-3,5-dihydro-2H-1,4-diazepine
CID 102343359
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide (CID 135008594) is (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide is Cc1ccc([C@@H]2C=C(c3ccccc3)O/C(=N\S(=O)(=O)c3ccc(C)cc3)N2c2ccccc2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide?
The InChIKey is ADZVRUVPFPJCRU-AGKRGSABSA-N. The full InChI is InChI=1S/C30H26N2O3S/c1-22-13-17-24(18-14-22)28-21-29(25-9-5-3-6-10-25)35-30(32(28)26-11-7-4-8-12-26)31-36(33,34)27-19-15-23(2)16-20-27/h3-21,28H,1-2H3/b31-30-/t28-/m0/s1.
What are the key properties of (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 135008594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).