N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide

C23H25N5O6S2 — CID 24980855

IUPACN-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)cc1
InChIInChI=1S/C23H25N5O6S2/c1-15-3-8-18(36(31,32)27-16-4-6-17(33-2)7-5-16)13-19(15)21(29)25-26-22(30)20-14-35-23(24-20)28-9-11-34-12-10-28/h3-8,13-14,27H,9-12H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyYZYNVXGWEBMCQR-UHFFFAOYSA-N
MW531.62 g/mol
LogP2.17
Rot. Bonds7

About N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide

N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 24980855) has the molecular formula C23H25N5O6S2 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID24980855
Molecular FormulaC23H25N5O6S2
Molecular Weight531.62 g/mol
Exact Mass531.12
IUPAC NameN-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)cc1
InChIInChI=1S/C23H25N5O6S2/c1-15-3-8-18(36(31,32)27-16-4-6-17(33-2)7-5-16)13-19(15)21(29)25-26-22(30)20-14-35-23(24-20)28-9-11-34-12-10-28/h3-8,13-14,27H,9-12H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyYZYNVXGWEBMCQR-UHFFFAOYSA-N
XLogP2.17
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid
CID 55353253
4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 31717997
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 168786207
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55946324

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 24980855) is N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is YZYNVXGWEBMCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6S2/c1-15-3-8-18(36(31,32)27-16-4-6-17(33-2)7-5-16)13-19(15)21(29)25-26-22(30)20-14-35-23(24-20)28-9-11-34-12-10-28/h3-8,13-14,27H,9-12H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 531.62 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24980855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).