N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide

C21H26N2O3S — CID 55518986

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccccc1C(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C21H26N2O3S/c1-15(2)18(23-9-11-26-12-10-23)14-22-21(25)17-7-4-3-6-16(17)20(24)19-8-5-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyQKWABPUJGHMRBQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.07
Rot. Bonds7

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide

N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide (PubChem CID 55518986) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide
PubChem CID55518986
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccccc1C(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C21H26N2O3S/c1-15(2)18(23-9-11-26-12-10-23)14-22-21(25)17-7-4-3-6-16(17)20(24)19-8-5-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyQKWABPUJGHMRBQ-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)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

2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222
N-[3-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111930582
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
CID 92626787
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 46975815
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide (CID 55518986) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide is CC(C)C(CNC(=O)c1ccccc1C(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is QKWABPUJGHMRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15(2)18(23-9-11-26-12-10-23)14-22-21(25)17-7-4-3-6-16(17)20(24)19-8-5-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 55518986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).