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

C19H23N3OS — CID 120645731

IUPAC5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C19H23N3OS/c1-14-6-7-16(20)12-17(14)19(23)21-18-5-3-2-4-15(18)13-22-8-10-24-11-9-22/h2-7,12H,8-11,13,20H2,1H3,(H,21,23)
InChIKeyVSZOPUCXMBXQNO-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.38
Rot. Bonds4

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

5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 120645731) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
PubChem CID120645731
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C19H23N3OS/c1-14-6-7-16(20)12-17(14)19(23)21-18-5-3-2-4-15(18)13-22-8-10-24-11-9-22/h2-7,12H,8-11,13,20H2,1H3,(H,21,23)
InChIKeyVSZOPUCXMBXQNO-UHFFFAOYSA-N
XLogP3.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698
4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869740
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide (CID 120645731) is 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide is Cc1ccc(N)cc1C(=O)Nc1ccccc1CN1CCSCC1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is VSZOPUCXMBXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-6-7-16(20)12-17(14)19(23)21-18-5-3-2-4-15(18)13-22-8-10-24-11-9-22/h2-7,12H,8-11,13,20H2,1H3,(H,21,23).
What are the key properties of 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide?
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 341.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 120645731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).