N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide

C20H25N3O3S — CID 86978815

IUPACN-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3S/c24-19(4-1-9-21-20(25)18-3-2-14-27-18)22-17-7-5-16(6-8-17)15-23-10-12-26-13-11-23/h2-3,5-8,14H,1,4,9-13,15H2,(H,21,25)(H,22,24)
InChIKeyXVMAVFPMWQPTAE-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.73
Rot. Bonds8

About N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 86978815) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID86978815
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3S/c24-19(4-1-9-21-20(25)18-3-2-14-27-18)22-17-7-5-16(6-8-17)15-23-10-12-26-13-11-23/h2-3,5-8,14H,1,4,9-13,15H2,(H,21,25)(H,22,24)
InChIKeyXVMAVFPMWQPTAE-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
N-[4-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55364615
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide
CID 55610306
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
CID 108754514

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide (CID 86978815) is N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide is O=C(CCCNC(=O)c1cccs1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is XVMAVFPMWQPTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-19(4-1-9-21-20(25)18-3-2-14-27-18)22-17-7-5-16(6-8-17)15-23-10-12-26-13-11-23/h2-3,5-8,14H,1,4,9-13,15H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 86978815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).