N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide

C23H34N4O5S — CID 39753944

IUPACN-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C23H34N4O5S/c1-5-26(6-2)20-14-13-18(33(30,31)27(7-3)8-4)17-19(20)25-22(28)12-9-15-24-23(29)21-11-10-16-32-21/h10-11,13-14,16-17H,5-9,12,15H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyPCSYCXNVDMNACZ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.31
Rot. Bonds13

About N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide

N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 39753944) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
PubChem CID39753944
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C23H34N4O5S/c1-5-26(6-2)20-14-13-18(33(30,31)27(7-3)8-4)17-19(20)25-22(28)12-9-15-24-23(29)21-11-10-16-32-21/h10-11,13-14,16-17H,5-9,12,15H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyPCSYCXNVDMNACZ-UHFFFAOYSA-N
XLogP3.31
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029748
N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide
CID 31931206
N-[3-[[4-(diethylsulfamoyl)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 26423283
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 16562748
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24549162
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
CID 17393633
N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
CID 26438932
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide (CID 39753944) is N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is PCSYCXNVDMNACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-5-26(6-2)20-14-13-18(33(30,31)27(7-3)8-4)17-19(20)25-22(28)12-9-15-24-23(29)21-11-10-16-32-21/h10-11,13-14,16-17H,5-9,12,15H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.31, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39753944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).