5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

C21H20BrN3O6S — CID 21167597

IUPAC5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(OC)c1
InChIInChI=1S/C21H20BrN3O6S/c1-13(24-25-32(27,28)19-9-7-16(29-2)12-18(19)30-3)14-5-4-6-15(11-14)23-21(26)17-8-10-20(22)31-17/h4-12,25H,1-3H3,(H,23,26)/b24-13-
InChIKeySYECBEQMNHRTCP-CFRMEGHHSA-N
MW522.38 g/mol
LogP4.01
Rot. Bonds8

About 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 21167597) has the molecular formula C21H20BrN3O6S and a molecular weight of 522.38 g/mol. Its IUPAC name is 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID21167597
Molecular FormulaC21H20BrN3O6S
Molecular Weight522.38 g/mol
Exact Mass521.03
IUPAC Name5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(OC)c1
InChIInChI=1S/C21H20BrN3O6S/c1-13(24-25-32(27,28)19-9-7-16(29-2)12-18(19)30-3)14-5-4-6-15(11-14)23-21(26)17-8-10-20(22)31-17/h4-12,25H,1-3H3,(H,23,26)/b24-13-
InChIKeySYECBEQMNHRTCP-CFRMEGHHSA-N
XLogP4.01
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.38
LogP ≤ 54.01
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'}

Analyze 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-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

5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 1009138
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
3,4-dimethoxy-N-[3-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6016904
N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 17383355
5-chloro-N-[3-[(E)-N-[(4-methoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 29055823
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
4-tert-butyl-N-[4-[(Z)-N-[(2,5-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23100951
5-bromo-N-[3-[(Z)-N-[(2,4-difluorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 28693402
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CID 21167597) is 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is COc1ccc(S(=O)(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(OC)c1.
What is the InChIKey of 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is SYECBEQMNHRTCP-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H20BrN3O6S/c1-13(24-25-32(27,28)19-9-7-16(29-2)12-18(19)30-3)14-5-4-6-15(11-14)23-21(26)17-8-10-20(22)31-17/h4-12,25H,1-3H3,(H,23,26)/b24-13-.
What are the key properties of 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 522.38 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(Z)-N-[(2,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 21167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).