5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

C16H20N2O4S — CID 118262819

IUPAC5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCC(C)c1ccc2oc(C(=O)NS(=O)(=O)N3CCCC3)cc2c1
InChIInChI=1S/C16H20N2O4S/c1-11(2)12-5-6-14-13(9-12)10-15(22-14)16(19)17-23(20,21)18-7-3-4-8-18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyZSBJBYDKVWJFEX-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.63
Rot. Bonds4

About 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 118262819) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID118262819
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCC(C)c1ccc2oc(C(=O)NS(=O)(=O)N3CCCC3)cc2c1
InChIInChI=1S/C16H20N2O4S/c1-11(2)12-5-6-14-13(9-12)10-15(22-14)16(19)17-23(20,21)18-7-3-4-8-18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyZSBJBYDKVWJFEX-UHFFFAOYSA-N
XLogP2.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 4497909
{(2S)-1-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl}methanol
CID 23723343
3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24793805
3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 24817645
((S)-2-(Diethylaminomethyl)pyrrolidin-1-yl)-(5-(trifluoromethyl)benzofuran-2-yl)methanone
CID 44411604
3-(2-(Furan-2-carboxamido)ethyl)benzofuran-5-carboxamide
CID 44593609
5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 986558
3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18156387
N-isopropyl-2-{4-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]-1-piperazinyl}acetamide
CID 23724069
1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-N,N-diethyl-4-piperidinecarboxamide
CID 24790296
N-[7-(hydroxyamino)-7-oxoheptyl]-3-methyl-1-benzofuran-2-carboxamide
CID 44299424
5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide
CID 118728450

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (CID 118262819) is 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is CC(C)c1ccc2oc(C(=O)NS(=O)(=O)N3CCCC3)cc2c1.
What is the InChIKey of 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is ZSBJBYDKVWJFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(2)12-5-6-14-13(9-12)10-15(22-14)16(19)17-23(20,21)18-7-3-4-8-18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118262819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).