N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C20H26N4O6S — CID 24549162

IUPACN-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H26N4O6S/c1-3-24(4-2)31(28,29)16-9-7-15(8-10-16)12-21-18(25)13-22-19(26)14-23-20(27)17-6-5-11-30-17/h5-11H,3-4,12-14H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyYITAPCWRZTUXHW-UHFFFAOYSA-N
MW450.52 g/mol
LogP0.47
Rot. Bonds11

About N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24549162) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24549162
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC NameN-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H26N4O6S/c1-3-24(4-2)31(28,29)16-9-7-15(8-10-16)12-21-18(25)13-22-19(26)14-23-20(27)17-6-5-11-30-17/h5-11H,3-4,12-14H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyYITAPCWRZTUXHW-UHFFFAOYSA-N
XLogP0.47
TPSA137.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(diethylsulfamoyl)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 26423283
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
CID 26423380
N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 126470838
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 24549162) is N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YITAPCWRZTUXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-3-24(4-2)31(28,29)16-9-7-15(8-10-16)12-21-18(25)13-22-19(26)14-23-20(27)17-6-5-11-30-17/h5-11H,3-4,12-14H2,1-2H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 0.47, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24549162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).