N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide

C13H16N2O4S — CID 65374640

IUPACN-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)NCC1CC1)O2
InChIInChI=1S/C13H16N2O4S/c14-20(17,18)10-3-4-11-9(5-10)6-12(19-11)13(16)15-7-8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H,15,16)(H2,14,17,18)
InChIKeyVUWWPACZGVJYEW-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.16
Rot. Bonds4

About N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 65374640) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID65374640
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)NCC1CC1)O2
InChIInChI=1S/C13H16N2O4S/c14-20(17,18)10-3-4-11-9(5-10)6-12(19-11)13(16)15-7-8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H,15,16)(H2,14,17,18)
InChIKeyVUWWPACZGVJYEW-UHFFFAOYSA-N
XLogP0.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106134784
2-(2-methylpropylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65368048
2-(2,2-dimethylpropylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65370400
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
2-(3-methylbutylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65367714
5-(azepan-1-ylsulfonyl)-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70985408
N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 79139619
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 98113436
N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63850228
propyl 5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 65398834

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 65374640) is N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide is NS(=O)(=O)c1ccc2c(c1)CC(C(=O)NCC1CC1)O2.
What is the InChIKey of N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VUWWPACZGVJYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-20(17,18)10-3-4-11-9(5-10)6-12(19-11)13(16)15-7-8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 65374640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).