N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide

C12H16N4O4S — CID 94027547

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide
SMILESCOC[C@H](C)NC(=O)CS(=O)(=O)c1nnc2ccccn12
InChIInChI=1S/C12H16N4O4S/c1-9(7-20-2)13-11(17)8-21(18,19)12-15-14-10-5-3-4-6-16(10)12/h3-6,9H,7-8H2,1-2H3,(H,13,17)/t9-/m0/s1
InChIKeyBSGRRLBGUXCBHW-VIFPVBQESA-N
MW312.35 g/mol
LogP-0.35
Rot. Bonds6

About N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide (PubChem CID 94027547) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide
PubChem CID94027547
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide
SMILESCOC[C@H](C)NC(=O)CS(=O)(=O)c1nnc2ccccn12
InChIInChI=1S/C12H16N4O4S/c1-9(7-20-2)13-11(17)8-21(18,19)12-15-14-10-5-3-4-6-16(10)12/h3-6,9H,7-8H2,1-2H3,(H,13,17)/t9-/m0/s1
InChIKeyBSGRRLBGUXCBHW-VIFPVBQESA-N
XLogP-0.35
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide with MolForge

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309469
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 47218635
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
CID 175937217
CID 175937217
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide (CID 94027547) is N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide is COC[C@H](C)NC(=O)CS(=O)(=O)c1nnc2ccccn12.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide?
The InChIKey is BSGRRLBGUXCBHW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-9(7-20-2)13-11(17)8-21(18,19)12-15-14-10-5-3-4-6-16(10)12/h3-6,9H,7-8H2,1-2H3,(H,13,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide has a molecular weight of 312.35 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide is sourced from PubChem (CID 94027547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).