2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide

C21H27N3OS — CID 119870055

IUPAC2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C21H27N3OS/c1-16-18(15-24-10-12-26-13-11-24)8-5-9-20(16)23-21(25)19(22)14-17-6-3-2-4-7-17/h2-9,19H,10-15,22H2,1H3,(H,23,25)
InChIKeyRGWROTJVUOEGDK-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.05
Rot. Bonds6

About 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide

2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide (PubChem CID 119870055) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
PubChem CID119870055
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C21H27N3OS/c1-16-18(15-24-10-12-26-13-11-24)8-5-9-20(16)23-21(25)19(22)14-17-6-3-2-4-7-17/h2-9,19H,10-15,22H2,1H3,(H,23,25)
InChIKeyRGWROTJVUOEGDK-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
4-[[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]methyl]benzoic acid
CID 122029757
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
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
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide (CID 119870055) is 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide is Cc1c(CN2CCSCC2)cccc1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The InChIKey is RGWROTJVUOEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-16-18(15-24-10-12-26-13-11-24)8-5-9-20(16)23-21(25)19(22)14-17-6-3-2-4-7-17/h2-9,19H,10-15,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide has a molecular weight of 369.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119870055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).