N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide

C24H25N3O6S2 — CID 58496311

IUPACN-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c2c1oc1ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C24H25N3O6S2/c1-32-20-10-8-16(21-17-11-14(27-35(2,30)31)5-9-19(17)33-22(20)21)24-26-18(12-34-24)23(29)25-13-3-6-15(28)7-4-13/h5,8-13,15,27-28H,3-4,6-7H2,1-2H3,(H,25,29)
InChIKeyDMJRVLCMBJFKSE-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.12
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide

N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58496311) has the molecular formula C24H25N3O6S2 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID58496311
Molecular FormulaC24H25N3O6S2
Molecular Weight515.61 g/mol
Exact Mass515.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c2c1oc1ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C24H25N3O6S2/c1-32-20-10-8-16(21-17-11-14(27-35(2,30)31)5-9-19(17)33-22(20)21)24-26-18(12-34-24)23(29)25-13-3-6-15(28)7-4-13/h5,8-13,15,27-28H,3-4,6-7H2,1-2H3,(H,25,29)
InChIKeyDMJRVLCMBJFKSE-UHFFFAOYSA-N
XLogP4.12
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide
CID 58496308
2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 46846791
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide (CID 58496311) is N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c2c1oc1ccc(NS(C)(=O)=O)cc12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DMJRVLCMBJFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S2/c1-32-20-10-8-16(21-17-11-14(27-35(2,30)31)5-9-19(17)33-22(20)21)24-26-18(12-34-24)23(29)25-13-3-6-15(28)7-4-13/h5,8-13,15,27-28H,3-4,6-7H2,1-2H3,(H,25,29).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide?
N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58496311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).