methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate

C14H19N3O6S — CID 19970558

IUPACmethyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
SMILESCCCCS(=O)(=O)NC(=O)c1ccc(C(=O)NCC(=O)OC)nc1
InChIInChI=1S/C14H19N3O6S/c1-3-4-7-24(21,22)17-13(19)10-5-6-11(15-8-10)14(20)16-9-12(18)23-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXBMLHHSPNXNSKQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.16
Rot. Bonds8

About methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate

methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate (PubChem CID 19970558) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
PubChem CID19970558
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Namemethyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
SMILESCCCCS(=O)(=O)NC(=O)c1ccc(C(=O)NCC(=O)OC)nc1
InChIInChI=1S/C14H19N3O6S/c1-3-4-7-24(21,22)17-13(19)10-5-6-11(15-8-10)14(20)16-9-12(18)23-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXBMLHHSPNXNSKQ-UHFFFAOYSA-N
XLogP-0.16
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[5-(decylsulfonylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 54557989
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712587
ethyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928468
methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928091
ethyl 2-[[5-(hexadecylsulfonylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 70276197
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate
CID 70798097
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928247
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate (CID 19970558) is methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate is CCCCS(=O)(=O)NC(=O)c1ccc(C(=O)NCC(=O)OC)nc1.
What is the InChIKey of methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate?
The InChIKey is XBMLHHSPNXNSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-3-4-7-24(21,22)17-13(19)10-5-6-11(15-8-10)14(20)16-9-12(18)23-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate has a molecular weight of 357.39 g/mol, XLogP of -0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 19970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).