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

C20H19NO5S — CID 163379602

IUPACN-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C20H19NO5S/c1-13-19(20(22)21-27(23,24)16-8-9-16)17-11-15(7-10-18(17)26-13)25-12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,21,22)
InChIKeyOXNFWTRJOGCJFI-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.54
Rot. Bonds6

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

N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 163379602) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID163379602
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC NameN-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C20H19NO5S/c1-13-19(20(22)21-27(23,24)16-8-9-16)17-11-15(7-10-18(17)26-13)25-12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,21,22)
InChIKeyOXNFWTRJOGCJFI-UHFFFAOYSA-N
XLogP3.54
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
tert-butyl (5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163379519
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 131920932
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 163379602) is N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is OXNFWTRJOGCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-13-19(20(22)21-27(23,24)16-8-9-16)17-11-15(7-10-18(17)26-13)25-12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,21,22).
What are the key properties of N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).