2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide

C18H17NO5S — CID 163379631

IUPAC2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NS(C)(=O)=O
InChIInChI=1S/C18H17NO5S/c1-12-17(18(20)19-25(2,21)22)15-10-14(8-9-16(15)24-12)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKCSOAZBKFFFSEJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide

2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 163379631) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID163379631
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NS(C)(=O)=O
InChIInChI=1S/C18H17NO5S/c1-12-17(18(20)19-25(2,21)22)15-10-14(8-9-16(15)24-12)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKCSOAZBKFFFSEJ-UHFFFAOYSA-N
XLogP3.01
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379677
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379316
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 8550950
methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
CID 26841545
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 163379631) is 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is KCSOAZBKFFFSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-12-17(18(20)19-25(2,21)22)15-10-14(8-9-16(15)24-12)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).