N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide

C24H28N4O3S2 — CID 75612001

IUPACN-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(Cn3ccsc3=NS(=O)(=O)c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C24H28N4O3S2/c1-3-26-11-13-27(14-12-26)23(29)21-6-4-5-20(17-21)18-28-15-16-32-24(28)25-33(30,31)22-9-7-19(2)8-10-22/h4-10,15-17H,3,11-14,18H2,1-2H3
InChIKeyBRYPWZJRWZFXDH-UHFFFAOYSA-N
MW484.65 g/mol
LogP2.97
Rot. Bonds6

About N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide

N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 75612001) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID75612001
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC NameN-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(Cn3ccsc3=NS(=O)(=O)c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C24H28N4O3S2/c1-3-26-11-13-27(14-12-26)23(29)21-6-4-5-20(17-21)18-28-15-16-32-24(28)25-33(30,31)22-9-7-19(2)8-10-22/h4-10,15-17H,3,11-14,18H2,1-2H3
InChIKeyBRYPWZJRWZFXDH-UHFFFAOYSA-N
XLogP2.97
TPSA74.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

ethyl 1-[3-[[(2Z)-2-(4-methylphenyl)sulfonylimino-1,3-thiazol-3-yl]methyl]benzoyl]piperidine-4-carboxylate
CID 83288072
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
CID 110486128
[3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46492077
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
5-methyl-1-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrrole-3-carboxylic acid
CID 67377677
(4-ethylpiperazin-1-yl)-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 1200687
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide (CID 75612001) is N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide is CCN1CCN(C(=O)c2cccc(Cn3ccsc3=NS(=O)(=O)c3ccc(C)cc3)c2)CC1.
What is the InChIKey of N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is BRYPWZJRWZFXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-3-26-11-13-27(14-12-26)23(29)21-6-4-5-20(17-21)18-28-15-16-32-24(28)25-33(30,31)22-9-7-19(2)8-10-22/h4-10,15-17H,3,11-14,18H2,1-2H3.
What are the key properties of N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 484.65 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75612001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).