N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H27N3O4S — CID 42948461

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C21H27N3O4S/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/h7-12,14,20,22H,4-6,13H2,1-3H3,(H,23,25)
InChIKeyRLGZJRPGZDXOTQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.09
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42948461) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42948461
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C21H27N3O4S/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/h7-12,14,20,22H,4-6,13H2,1-3H3,(H,23,25)
InChIKeyRLGZJRPGZDXOTQ-UHFFFAOYSA-N
XLogP3.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26708035
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013571
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
CID 47022693
(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1090883
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 78869822
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42948461) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-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]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RLGZJRPGZDXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/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/h7-12,14,20,22H,4-6,13H2,1-3H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 3.09, 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]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42948461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).