4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide

C23H27N3O3S — CID 55658360

IUPAC4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O3S/c27-21(24-16-23(10-15-30-17-23)26-11-13-29-14-12-26)19-6-8-20(9-7-19)25-22(28)18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,27)(H,25,28)
InChIKeyLLMMXFQNPGJKGV-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.88
Rot. Bonds6

About 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide

4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide (PubChem CID 55658360) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
PubChem CID55658360
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O3S/c27-21(24-16-23(10-15-30-17-23)26-11-13-29-14-12-26)19-6-8-20(9-7-19)25-22(28)18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,27)(H,25,28)
InChIKeyLLMMXFQNPGJKGV-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]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

1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
1-[4-(azepane-1-carbonyl)phenyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55833645
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide?
The IUPAC name of 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide (CID 55658360) is 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide?
The canonical SMILES for 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide is O=C(NCC1(N2CCOCC2)CCSC1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide?
The InChIKey is LLMMXFQNPGJKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-21(24-16-23(10-15-30-17-23)26-11-13-29-14-12-26)19-6-8-20(9-7-19)25-22(28)18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,27)(H,25,28).
What are the key properties of 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide?
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide has a molecular weight of 425.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide is sourced from PubChem (CID 55658360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).