N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide

C21H22N4O3S3 — CID 56503129

IUPACN-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
SMILESCc1csc(SCc2ccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)n1
InChIInChI=1S/C21H22N4O3S3/c1-14-12-29-21(22-14)30-13-15-2-4-16(5-3-15)20(26)24-23-17-8-10-19(11-9-17)31(27,28)25-18-6-7-18/h2-5,8-12,18,23,25H,6-7,13H2,1H3,(H,24,26)
InChIKeyGLHIFRYEFDRWHK-UHFFFAOYSA-N
MW474.63 g/mol
LogP3.94
Rot. Bonds9

About N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide (PubChem CID 56503129) has the molecular formula C21H22N4O3S3 and a molecular weight of 474.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
PubChem CID56503129
Molecular FormulaC21H22N4O3S3
Molecular Weight474.63 g/mol
Exact Mass474.09
IUPAC NameN-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
SMILESCc1csc(SCc2ccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)n1
InChIInChI=1S/C21H22N4O3S3/c1-14-12-29-21(22-14)30-13-15-2-4-16(5-3-15)20(26)24-23-17-8-10-19(11-9-17)31(27,28)25-18-6-7-18/h2-5,8-12,18,23,25H,6-7,13H2,1H3,(H,24,26)
InChIKeyGLHIFRYEFDRWHK-UHFFFAOYSA-N
XLogP3.94
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
CID 56502746
N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
CID 56503137
(1-cyclohexyl-2-methylpropyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 167792761
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26899424
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 56569543
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
N-(3-acetamido-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55847335
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27712069
N-cyclopropyl-4-[2-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]hydrazinyl]benzenesulfonamide
CID 56503643
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide (CID 56503129) is N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide is Cc1csc(SCc2ccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide?
The InChIKey is GLHIFRYEFDRWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S3/c1-14-12-29-21(22-14)30-13-15-2-4-16(5-3-15)20(26)24-23-17-8-10-19(11-9-17)31(27,28)25-18-6-7-18/h2-5,8-12,18,23,25H,6-7,13H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide has a molecular weight of 474.63 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56503129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).