4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide

C12H17N3O3S — CID 126149953

IUPAC4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C12H17N3O3S/c1-9(2)13-14-12(16)10-5-7-11(8-6-10)15(3)19(4,17)18/h5-8H,1-4H3,(H,14,16)
InChIKeyMXVXJJDHLWMOQY-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.21
Rot. Bonds4

About 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide

4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide (PubChem CID 126149953) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
PubChem CID126149953
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C12H17N3O3S/c1-9(2)13-14-12(16)10-5-7-11(8-6-10)15(3)19(4,17)18/h5-8H,1-4H3,(H,14,16)
InChIKeyMXVXJJDHLWMOQY-UHFFFAOYSA-N
XLogP1.21
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide (CID 126149953) is 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide is CC(C)=NNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide?
The InChIKey is MXVXJJDHLWMOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9(2)13-14-12(16)10-5-7-11(8-6-10)15(3)19(4,17)18/h5-8H,1-4H3,(H,14,16).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide?
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide has a molecular weight of 283.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 126149953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).