2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide

C25H25F2N3O6S2 — CID 46846791

IUPAC2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C25H25F2N3O6S2/c1-12-21(23(32)28-13-3-6-15(31)7-4-13)29-24(37-12)16-8-10-19(36-25(26)27)22-20(16)17-11-14(30-38(2,33)34)5-9-18(17)35-22/h5,8-11,13,15,25,30-31H,3-4,6-7H2,1-2H3,(H,28,32)
InChIKeyPWKSJIDTPCVZHN-UHFFFAOYSA-N
MW565.62 g/mol
LogP5.02
Rot. Bonds7

About 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide

2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46846791) has the molecular formula C25H25F2N3O6S2 and a molecular weight of 565.62 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID46846791
Molecular FormulaC25H25F2N3O6S2
Molecular Weight565.62 g/mol
Exact Mass565.12
IUPAC Name2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C25H25F2N3O6S2/c1-12-21(23(32)28-13-3-6-15(31)7-4-13)29-24(37-12)16-8-10-19(36-25(26)27)22-20(16)17-11-14(30-38(2,33)34)5-9-18(17)35-22/h5,8-11,13,15,25,30-31H,3-4,6-7H2,1-2H3,(H,28,32)
InChIKeyPWKSJIDTPCVZHN-UHFFFAOYSA-N
XLogP5.02
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 46846791) is 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PWKSJIDTPCVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O6S2/c1-12-21(23(32)28-13-3-6-15(31)7-4-13)29-24(37-12)16-8-10-19(36-25(26)27)22-20(16)17-11-14(30-38(2,33)34)5-9-18(17)35-22/h5,8-11,13,15,25,30-31H,3-4,6-7H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide?
2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 565.62 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).