4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide

C21H22N4O3S2 — CID 6904054

IUPAC4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H22N4O3S2/c1-16-7-9-18(10-8-16)30(26,27)24-22-15-19-20(17-5-3-2-4-6-17)23-21(29-19)25-11-13-28-14-12-25/h2-10,15,24H,11-14H2,1H3/b22-15+
InChIKeySGMMNFNKTZBOLE-PXLXIMEGSA-N
MW442.57 g/mol
LogP3.27
Rot. Bonds6

About 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide (PubChem CID 6904054) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
PubChem CID6904054
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H22N4O3S2/c1-16-7-9-18(10-8-16)30(26,27)24-22-15-19-20(17-5-3-2-4-6-17)23-21(29-19)25-11-13-28-14-12-25/h2-10,15,24H,11-14H2,1H3/b22-15+
InChIKeySGMMNFNKTZBOLE-PXLXIMEGSA-N
XLogP3.27
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
CID 3405666
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 4189761
2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
CID 9012646
(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027935
(E)-3-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine
CID 6902132
(E)-2-(4-chlorophenyl)sulfonyl-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enenitrile
CID 2423405
4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 6106562
(3Z)-1-methyl-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]indol-2-one
CID 2108016
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155515525
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]butanamide
CID 6041310

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide (CID 6904054) is 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide?
The InChIKey is SGMMNFNKTZBOLE-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-16-7-9-18(10-8-16)30(26,27)24-22-15-19-20(17-5-3-2-4-6-17)23-21(29-19)25-11-13-28-14-12-25/h2-10,15,24H,11-14H2,1H3/b22-15+.
What are the key properties of 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide has a molecular weight of 442.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6904054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).