2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide

C19H23FN4O4S — CID 56523214

IUPAC2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1
InChIInChI=1S/C19H23FN4O4S/c1-12(2)23-29(27,28)14-5-6-16(20)15(10-14)19(26)24(4)11-18(25)22-17-9-13(3)7-8-21-17/h5-10,12,23H,11H2,1-4H3,(H,21,22,25)
InChIKeyIZTIGLNQPMSZFD-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.93
Rot. Bonds7

About 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide

2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 56523214) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID56523214
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC Name2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1
InChIInChI=1S/C19H23FN4O4S/c1-12(2)23-29(27,28)14-5-6-16(20)15(10-14)19(26)24(4)11-18(25)22-17-9-13(3)7-8-21-17/h5-10,12,23H,11H2,1-4H3,(H,21,22,25)
InChIKeyIZTIGLNQPMSZFD-UHFFFAOYSA-N
XLogP1.93
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide with MolForge

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Related Compounds

methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580629
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55605684
N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 86963141
methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 95294721
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9479566
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 51133835

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 56523214) is 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide is Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is IZTIGLNQPMSZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c1-12(2)23-29(27,28)14-5-6-16(20)15(10-14)19(26)24(4)11-18(25)22-17-9-13(3)7-8-21-17/h5-10,12,23H,11H2,1-4H3,(H,21,22,25).
What are the key properties of 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 422.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 56523214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).