methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate

C19H23N3O5S — CID 18539908

IUPACmethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)C(Cc1ccccn1)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-7-9-16(10-8-14)28(25,26)22(2)13-18(23)21-17(19(24)27-3)12-15-6-4-5-11-20-15/h4-11,17H,12-13H2,1-3H3,(H,21,23)
InChIKeyYLSVSHJCLHHLRF-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.91
Rot. Bonds8

About methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate

methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 18539908) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate
PubChem CID18539908
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Namemethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)C(Cc1ccccn1)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-7-9-16(10-8-14)28(25,26)22(2)13-18(23)21-17(19(24)27-3)12-15-6-4-5-11-20-15/h4-11,17H,12-13H2,1-3H3,(H,21,23)
InChIKeyYLSVSHJCLHHLRF-UHFFFAOYSA-N
XLogP0.91
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 20582824
methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
CID 25225123
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 3163372
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 125063696
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 125063865
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
[2-(2,4-dimethylphenyl)-1-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]boronic acid
CID 145054053
2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38667056
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
CID 25343534

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate (CID 18539908) is methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate is COC(=O)C(Cc1ccccn1)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate?
The InChIKey is YLSVSHJCLHHLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-7-9-16(10-8-14)28(25,26)22(2)13-18(23)21-17(19(24)27-3)12-15-6-4-5-11-20-15/h4-11,17H,12-13H2,1-3H3,(H,21,23).
What are the key properties of methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate?
methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate has a molecular weight of 405.48 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 18539908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).