2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide

C14H17N5O4S — CID 112523408

IUPAC2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESCC1Cc2cc(NC(=O)Cn3ncc(NS(C)(=O)=O)n3)ccc2O1
InChIInChI=1S/C14H17N5O4S/c1-9-5-10-6-11(3-4-12(10)23-9)16-14(20)8-19-15-7-13(17-19)18-24(2,21)22/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyXAHNJXWOVVOANU-UHFFFAOYSA-N
MW351.39 g/mol
LogP0.61
Rot. Bonds5

About 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide

2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 112523408) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID112523408
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESCC1Cc2cc(NC(=O)Cn3ncc(NS(C)(=O)=O)n3)ccc2O1
InChIInChI=1S/C14H17N5O4S/c1-9-5-10-6-11(3-4-12(10)23-9)16-14(20)8-19-15-7-13(17-19)18-24(2,21)22/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyXAHNJXWOVVOANU-UHFFFAOYSA-N
XLogP0.61
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
N-(2,4-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522883
N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 97445054
N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
CID 131901784
2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide
CID 112525520
N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112531411
2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 112522307
N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
CID 155954661
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131903838
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 112523408) is 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide is CC1Cc2cc(NC(=O)Cn3ncc(NS(C)(=O)=O)n3)ccc2O1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is XAHNJXWOVVOANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-9-5-10-6-11(3-4-12(10)23-9)16-14(20)8-19-15-7-13(17-19)18-24(2,21)22/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide?
2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 351.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 112523408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).