5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide

C12H15N3O4S — CID 61095225

IUPAC5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H15N3O4S/c1-20(17,18)15-5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)19-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyCUSNOGKBGNDRLE-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.29
Rot. Bonds5

About 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide

5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 61095225) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
PubChem CID61095225
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H15N3O4S/c1-20(17,18)15-5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)19-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyCUSNOGKBGNDRLE-UHFFFAOYSA-N
XLogP0.29
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
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5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106391489
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide (CID 61095225) is 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is CUSNOGKBGNDRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-20(17,18)15-5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)19-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide?
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61095225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).