4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide

C22H28N2O2S — CID 86938238

IUPAC4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1C
InChIInChI=1S/C22H28N2O2S/c1-4-26-21-8-7-19(13-17(21)3)22(25)23-20-14-18(6-5-16(20)2)15-24-9-11-27-12-10-24/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,23,25)
InChIKeyQNZGTLAARUOXBK-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.50
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide

4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 86938238) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide
PubChem CID86938238
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1C
InChIInChI=1S/C22H28N2O2S/c1-4-26-21-8-7-19(13-17(21)3)22(25)23-20-14-18(6-5-16(20)2)15-24-9-11-27-12-10-24/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,23,25)
InChIKeyQNZGTLAARUOXBK-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]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

4-ethoxy-3-methyl-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 86938065
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869930
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119869951
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate
CID 144988653
4-[2-methyl-5-(thiomorpholin-4-ylmethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029750

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide (CID 86938238) is 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is QNZGTLAARUOXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-4-26-21-8-7-19(13-17(21)3)22(25)23-20-14-18(6-5-16(20)2)15-24-9-11-27-12-10-24/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 384.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 86938238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).