4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide

C18H21N3O3S — CID 126143327

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13(2)19-20-18(22)15-7-9-16(10-8-15)21(4)25(23,24)17-11-5-14(3)6-12-17/h5-12H,1-4H3,(H,20,22)
InChIKeyURPRISWATQIDTQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.95
Rot. Bonds5

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide (PubChem CID 126143327) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
PubChem CID126143327
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13(2)19-20-18(22)15-7-9-16(10-8-15)21(4)25(23,24)17-11-5-14(3)6-12-17/h5-12H,1-4H3,(H,20,22)
InChIKeyURPRISWATQIDTQ-UHFFFAOYSA-N
XLogP2.95
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
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

N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124709
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953
N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126146935
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 3937488
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124875
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide (CID 126143327) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide is CC(C)=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide?
The InChIKey is URPRISWATQIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13(2)19-20-18(22)15-7-9-16(10-8-15)21(4)25(23,24)17-11-5-14(3)6-12-17/h5-12H,1-4H3,(H,20,22).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 126143327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).