N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide

C17H19N3O3S — CID 881463

IUPACN-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-4-10-17(11-5-12)24(22,23)20-19-13(2)15-6-8-16(9-7-15)18-14(3)21/h4-11,20H,1-3H3,(H,18,21)
InChIKeyBJBRNQULBOIVCH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide

N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide (PubChem CID 881463) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
PubChem CID881463
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-4-10-17(11-5-12)24(22,23)20-19-13(2)15-6-8-16(9-7-15)18-14(3)21/h4-11,20H,1-3H3,(H,18,21)
InChIKeyBJBRNQULBOIVCH-UHFFFAOYSA-N
XLogP2.66
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
2,2,2-trifluoro-N-[4-[(Z)-N-[(4-fluorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 27522543
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
CID 45098057
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 5094296
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588

Frequently Asked Questions

What is the IUPAC name of N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide (CID 881463) is N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide?
The InChIKey is BJBRNQULBOIVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-4-10-17(11-5-12)24(22,23)20-19-13(2)15-6-8-16(9-7-15)18-14(3)21/h4-11,20H,1-3H3,(H,18,21).
What are the key properties of N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide?
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 881463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).