N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide

C24H25N3O6S — CID 50773420

IUPACN-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc3c(cc2SCc2ccco2)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C24H25N3O6S/c1-26-17-11-16(25-23(28)14-9-19(30-3)22(32-5)20(10-14)31-4)21(12-18(17)27(2)24(26)29)34-13-15-7-6-8-33-15/h6-12H,13H2,1-5H3,(H,25,28)
InChIKeyFPERLHCNGISTPD-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.04
Rot. Bonds8

About N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide

N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide (PubChem CID 50773420) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
PubChem CID50773420
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc3c(cc2SCc2ccco2)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C24H25N3O6S/c1-26-17-11-16(25-23(28)14-9-19(30-3)22(32-5)20(10-14)31-4)21(12-18(17)27(2)24(26)29)34-13-15-7-6-8-33-15/h6-12H,13H2,1-5H3,(H,25,28)
InChIKeyFPERLHCNGISTPD-UHFFFAOYSA-N
XLogP4.04
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-butylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 35397680
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
methyl 4-amino-3-(furan-2-ylmethylsulfanyl)benzoate
CID 82796512
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide (CID 50773420) is N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc3c(cc2SCc2ccco2)n(C)c(=O)n3C)cc(OC)c1OC.
What is the InChIKey of N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is FPERLHCNGISTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-26-17-11-16(25-23(28)14-9-19(30-3)22(32-5)20(10-14)31-4)21(12-18(17)27(2)24(26)29)34-13-15-7-6-8-33-15/h6-12H,13H2,1-5H3,(H,25,28).
What are the key properties of N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 483.55 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 50773420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).