N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide

C23H23N3O5S — CID 1009138

IUPACN-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)=NNS(=O)(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C23H23N3O5S/c1-16(25-26-32(28,29)20-10-5-4-6-11-20)17-8-7-9-19(14-17)24-23(27)18-12-13-21(30-2)22(15-18)31-3/h4-15,26H,1-3H3,(H,24,27)
InChIKeyFHYMEEZLYCREKR-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.66
Rot. Bonds8

About N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide

N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 1009138) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID1009138
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)=NNS(=O)(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C23H23N3O5S/c1-16(25-26-32(28,29)20-10-5-4-6-11-20)17-8-7-9-19(14-17)24-23(27)18-12-13-21(30-2)22(15-18)31-3/h4-15,26H,1-3H3,(H,24,27)
InChIKeyFHYMEEZLYCREKR-UHFFFAOYSA-N
XLogP3.66
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3,4-dimethoxy-N-[3-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6016904
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
N-[3-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-4-chlorobenzamide
CID 3431894
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6005646
5-chloro-N-[3-[(E)-N-[(4-methoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 29055823
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-[4-[(E)-N-[(3,4-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 17383355
5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 20910382
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide (CID 1009138) is N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(C(C)=NNS(=O)(=O)c3ccccc3)c2)cc1OC.
What is the InChIKey of N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is FHYMEEZLYCREKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-16(25-26-32(28,29)20-10-5-4-6-11-20)17-8-7-9-19(14-17)24-23(27)18-12-13-21(30-2)22(15-18)31-3/h4-15,26H,1-3H3,(H,24,27).
What are the key properties of N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 453.52 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 1009138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).