N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C21H25N3O3S — CID 2891613

IUPACN-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCCN1CCOCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3S/c25-20(17-6-2-1-3-7-17)23-19(16-18-8-4-15-28-18)21(26)22-9-5-10-24-11-13-27-14-12-24/h1-4,6-8,15-16H,5,9-14H2,(H,22,26)(H,23,25)/b19-16-
InChIKeyNODPSTVGTWIEGK-MNDPQUGUSA-N
MW399.52 g/mol
LogP2.36
Rot. Bonds8

About N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 2891613) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID2891613
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCCN1CCOCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3S/c25-20(17-6-2-1-3-7-17)23-19(16-18-8-4-15-28-18)21(26)22-9-5-10-24-11-13-27-14-12-24/h1-4,6-8,15-16H,5,9-14H2,(H,22,26)(H,23,25)/b19-16-
InChIKeyNODPSTVGTWIEGK-MNDPQUGUSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide 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-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-5-phenylthiophene-2-carboxamide
CID 10303894
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10281234
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 2891613) is N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is O=C(NCCCN1CCOCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is NODPSTVGTWIEGK-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-20(17-6-2-1-3-7-17)23-19(16-18-8-4-15-28-18)21(26)22-9-5-10-24-11-13-27-14-12-24/h1-4,6-8,15-16H,5,9-14H2,(H,22,26)(H,23,25)/b19-16-.
What are the key properties of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2891613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).