[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate

C16H17N3O5S — CID 55510315

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H17N3O5S/c1-10-3-4-12(9-18-10)16(21)24-11(2)15(20)19-13-5-7-14(8-6-13)25(17,22)23/h3-9,11H,1-2H3,(H,19,20)(H2,17,22,23)
InChIKeyMYIFWDQISRHNEI-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.22
Rot. Bonds5

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate (PubChem CID 55510315) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate
PubChem CID55510315
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H17N3O5S/c1-10-3-4-12(9-18-10)16(21)24-11(2)15(20)19-13-5-7-14(8-6-13)25(17,22)23/h3-9,11H,1-2H3,(H,19,20)(H2,17,22,23)
InChIKeyMYIFWDQISRHNEI-UHFFFAOYSA-N
XLogP1.22
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-methylsulfanylbenzoate
CID 8507698
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(methoxymethyl)benzoate
CID 7488811
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
CID 7211739
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511328
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-acetamidobenzoate
CID 55315726
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2,4-dimethylbenzoate
CID 7796078
[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
CID 31172219
[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
CID 31172217
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 41044691
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 16512111
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017632

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate (CID 55510315) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate?
The InChIKey is MYIFWDQISRHNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10-3-4-12(9-18-10)16(21)24-11(2)15(20)19-13-5-7-14(8-6-13)25(17,22)23/h3-9,11H,1-2H3,(H,19,20)(H2,17,22,23).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate has a molecular weight of 363.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 55510315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).