N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide

C22H23N3O6S — CID 17383355

IUPACN-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C)o3)cc2)cc1OC
InChIInChI=1S/C22H23N3O6S/c1-14-5-11-20(31-14)22(26)23-17-8-6-16(7-9-17)15(2)24-25-32(27,28)18-10-12-19(29-3)21(13-18)30-4/h5-13,25H,1-4H3,(H,23,26)/b24-15+
InChIKeyLPQZSISCRQZHCL-BUVRLJJBSA-N
MW457.51 g/mol
LogP3.56
Rot. Bonds8

About N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide

N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 17383355) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
PubChem CID17383355
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC NameN-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C)o3)cc2)cc1OC
InChIInChI=1S/C22H23N3O6S/c1-14-5-11-20(31-14)22(26)23-17-8-6-16(7-9-17)15(2)24-25-32(27,28)18-10-12-19(29-3)21(13-18)30-4/h5-13,25H,1-4H3,(H,23,26)/b24-15+
InChIKeyLPQZSISCRQZHCL-BUVRLJJBSA-N
XLogP3.56
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
3,4-dimethoxy-N-[3-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6016904
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 1009138
4-tert-butyl-N-[4-[(Z)-N-[(2,5-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23100951
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-(4-ethoxy-3-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 17439560
N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3410410
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 21167597

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide (CID 17383355) is N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide is COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C)o3)cc2)cc1OC.
What is the InChIKey of N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is LPQZSISCRQZHCL-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-14-5-11-20(31-14)22(26)23-17-8-6-16(7-9-17)15(2)24-25-32(27,28)18-10-12-19(29-3)21(13-18)30-4/h5-13,25H,1-4H3,(H,23,26)/b24-15+.
What are the key properties of N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide?
N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 17383355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).