N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C22H31N3O6S2 — CID 55757418

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1
InChIInChI=1S/C22H31N3O6S2/c1-5-24(6-2)32(27,28)19-11-9-18(10-12-19)16(3)23-22(26)20-15-21(17(4)31-20)33(29,30)25-13-7-8-14-25/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,26)
InChIKeyYSOZHKRAXXQAGD-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.89
Rot. Bonds9

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55757418) has the molecular formula C22H31N3O6S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55757418
Molecular FormulaC22H31N3O6S2
Molecular Weight497.64 g/mol
Exact Mass497.17
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1
InChIInChI=1S/C22H31N3O6S2/c1-5-24(6-2)32(27,28)19-11-9-18(10-12-19)16(3)23-22(26)20-15-21(17(4)31-20)33(29,30)25-13-7-8-14-25/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,26)
InChIKeyYSOZHKRAXXQAGD-UHFFFAOYSA-N
XLogP2.89
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955734
5-chloro-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 39758913
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
N-[1-(4-ethylphenyl)ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 133166385
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51857370
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55757418) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is YSOZHKRAXXQAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S2/c1-5-24(6-2)32(27,28)19-11-9-18(10-12-19)16(3)23-22(26)20-15-21(17(4)31-20)33(29,30)25-13-7-8-14-25/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55757418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).