N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

C17H14N2O4S — CID 56814800

IUPACN-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H14N2O4S/c18-11-13-2-1-3-15(9-13)24(21,22)19-17(20)10-12-4-5-16-14(8-12)6-7-23-16/h1-5,8-9H,6-7,10H2,(H,19,20)
InChIKeyRUHSEQNKNFCYNK-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.54
Rot. Bonds4

About N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 56814800) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID56814800
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H14N2O4S/c18-11-13-2-1-3-15(9-13)24(21,22)19-17(20)10-12-4-5-16-14(8-12)6-7-23-16/h1-5,8-9H,6-7,10H2,(H,19,20)
InChIKeyRUHSEQNKNFCYNK-UHFFFAOYSA-N
XLogP1.54
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
CID 51337859
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 71940240
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 56814800) is N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is N#Cc1cccc(S(=O)(=O)NC(=O)Cc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is RUHSEQNKNFCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c18-11-13-2-1-3-15(9-13)24(21,22)19-17(20)10-12-4-5-16-14(8-12)6-7-23-16/h1-5,8-9H,6-7,10H2,(H,19,20).
What are the key properties of N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 342.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 56814800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).