N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide

C23H34N4O4S2 — CID 43029748

IUPACN-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C23H34N4O4S2/c1-5-26(6-2)21-12-11-19(33(30,31)27(7-3)8-4)16-20(21)25-22(28)10-9-14-24-23(29)18-13-15-32-17-18/h11-13,15-17H,5-10,14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyIDAINNUOSNTXTL-UHFFFAOYSA-N
MW494.68 g/mol
LogP3.77
Rot. Bonds13

About N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 43029748) has the molecular formula C23H34N4O4S2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID43029748
Molecular FormulaC23H34N4O4S2
Molecular Weight494.68 g/mol
Exact Mass494.20
IUPAC NameN-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C23H34N4O4S2/c1-5-26(6-2)21-12-11-19(33(30,31)27(7-3)8-4)16-20(21)25-22(28)10-9-14-24-23(29)18-13-15-32-17-18/h11-13,15-17H,5-10,14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyIDAINNUOSNTXTL-UHFFFAOYSA-N
XLogP3.77
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.68
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714
N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 25332874
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
CID 55370603
N-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30300204
N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17498578

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide (CID 43029748) is N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCNC(=O)c1ccsc1.
What is the InChIKey of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is IDAINNUOSNTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S2/c1-5-26(6-2)21-12-11-19(33(30,31)27(7-3)8-4)16-20(21)25-22(28)10-9-14-24-23(29)18-13-15-32-17-18/h11-13,15-17H,5-10,14H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 494.68 g/mol, XLogP of 3.77, 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]thiophene-3-carboxamide is sourced from PubChem (CID 43029748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).