N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

C23H23N3O2S — CID 26702247

IUPACN-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCNC(=O)c3ccsc3)ccc21
InChIInChI=1S/C23H23N3O2S/c1-2-26-20-7-4-3-6-18(20)19-14-17(9-10-21(19)26)25-22(27)8-5-12-24-23(28)16-11-13-29-15-16/h3-4,6-7,9-11,13-15H,2,5,8,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyIGPUFWNXPDDJSW-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.02
Rot. Bonds7

About N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 26702247) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID26702247
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCNC(=O)c3ccsc3)ccc21
InChIInChI=1S/C23H23N3O2S/c1-2-26-20-7-4-3-6-18(20)19-14-17(9-10-21(19)26)25-22(27)8-5-12-24-23(28)16-11-13-29-15-16/h3-4,6-7,9-11,13-15H,2,5,8,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyIGPUFWNXPDDJSW-UHFFFAOYSA-N
XLogP5.02
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(9-ethylcarbazol-3-yl)amino]-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-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 167848019
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide
CID 60550642
N-[4-(3-fluoro-4-pyrrolidin-1-ylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55889409
N-[4-[3-(difluoromethyl)-4-methylsulfonylanilino]-4-oxobutyl]thiophene-3-carboxamide
CID 75400886

Frequently Asked Questions

What is the IUPAC name of N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (CID 26702247) is N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)CCCNC(=O)c3ccsc3)ccc21.
What is the InChIKey of N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is IGPUFWNXPDDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-26-20-7-4-3-6-18(20)19-14-17(9-10-21(19)26)25-22(27)8-5-12-24-23(28)16-11-13-29-15-16/h3-4,6-7,9-11,13-15H,2,5,8,12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 26702247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).