N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide

C21H25N3O4S — CID 47022693

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H25N3O4S/c1-4-22-17-12-11-16(29(26,27)24(5-2)6-3)14-18(17)23-21(25)20-13-15-9-7-8-10-19(15)28-20/h7-14,22H,4-6H2,1-3H3,(H,23,25)
InChIKeyFTPNXUBYJPPPFV-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.15
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 47022693) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID47022693
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H25N3O4S/c1-4-22-17-12-11-16(29(26,27)24(5-2)6-3)14-18(17)23-21(25)20-13-15-9-7-8-10-19(15)28-20/h7-14,22H,4-6H2,1-3H3,(H,23,25)
InChIKeyFTPNXUBYJPPPFV-UHFFFAOYSA-N
XLogP4.15
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 78869822
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42948461
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide (CID 47022693) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FTPNXUBYJPPPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-22-17-12-11-16(29(26,27)24(5-2)6-3)14-18(17)23-21(25)20-13-15-9-7-8-10-19(15)28-20/h7-14,22H,4-6H2,1-3H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47022693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).