N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide

C24H22N4O4S — CID 55750977

IUPACN-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C24H22N4O4S/c29-21(6-3-12-25-23(31)17-11-13-33-15-17)26-18-9-7-16(8-10-18)24(32)28-14-22(30)27-19-4-1-2-5-20(19)28/h1-2,4-5,7-11,13,15H,3,6,12,14H2,(H,25,31)(H,26,29)(H,27,30)
InChIKeyFSKVDHHNMBJCIH-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.50
Rot. Bonds7

About N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide

N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide (PubChem CID 55750977) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide
PubChem CID55750977
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C24H22N4O4S/c29-21(6-3-12-25-23(31)17-11-13-33-15-17)26-18-9-7-16(8-10-18)24(32)28-14-22(30)27-19-4-1-2-5-20(19)28/h1-2,4-5,7-11,13,15H,3,6,12,14H2,(H,25,31)(H,26,29)(H,27,30)
InChIKeyFSKVDHHNMBJCIH-UHFFFAOYSA-N
XLogP3.50
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
CID 55750719
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
CID 55750852
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
3-(cyanomethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 78891272
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55798485

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide (CID 55750977) is N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide?
The InChIKey is FSKVDHHNMBJCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c29-21(6-3-12-25-23(31)17-11-13-33-15-17)26-18-9-7-16(8-10-18)24(32)28-14-22(30)27-19-4-1-2-5-20(19)28/h1-2,4-5,7-11,13,15H,3,6,12,14H2,(H,25,31)(H,26,29)(H,27,30).
What are the key properties of N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide?
N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide is sourced from PubChem (CID 55750977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).