2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C16H19N3O4S — CID 86984838

IUPAC2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2occc21)S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H19N3O4S/c1-19(24(21,22)12-4-3-8-17-10-12)11-16(20)18-14-5-2-6-15-13(14)7-9-23-15/h3-4,7-10,14H,2,5-6,11H2,1H3,(H,18,20)
InChIKeyZAIGQJQYMXHJNZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.49
Rot. Bonds5

About 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 86984838) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID86984838
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2occc21)S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H19N3O4S/c1-19(24(21,22)12-4-3-8-17-10-12)11-16(20)18-14-5-2-6-15-13(14)7-9-23-15/h3-4,7-10,14H,2,5-6,11H2,1H3,(H,18,20)
InChIKeyZAIGQJQYMXHJNZ-UHFFFAOYSA-N
XLogP1.49
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327
N-[2-[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]ethyl]pyridine-3-sulfonamide
CID 99837876
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250
N-[furan-2-yl(phenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668935
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78865142
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 86984838) is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is CN(CC(=O)NC1CCCc2occc21)S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is ZAIGQJQYMXHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-19(24(21,22)12-4-3-8-17-10-12)11-16(20)18-14-5-2-6-15-13(14)7-9-23-15/h3-4,7-10,14H,2,5-6,11H2,1H3,(H,18,20).
What are the key properties of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 86984838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).