3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide

C22H29N3OS — CID 119869951

IUPAC3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
SMILESCc1ccc(CN2CCSCC2)cc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H29N3OS/c1-16-8-9-18(15-25-10-12-27-13-11-25)14-20(16)24-22(26)17(2)21(23)19-6-4-3-5-7-19/h3-9,14,17,21H,10-13,15,23H2,1-2H3,(H,24,26)
InChIKeyHFBXAIMTRKFIDE-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.82
Rot. Bonds6

About 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide (PubChem CID 119869951) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
PubChem CID119869951
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
SMILESCc1ccc(CN2CCSCC2)cc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H29N3OS/c1-16-8-9-18(15-25-10-12-27-13-11-25)14-20(16)24-22(26)17(2)21(23)19-6-4-3-5-7-19/h3-9,14,17,21H,10-13,15,23H2,1-2H3,(H,24,26)
InChIKeyHFBXAIMTRKFIDE-UHFFFAOYSA-N
XLogP3.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119890395
3-amino-2-methyl-3-phenyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]propanamide;dihydrochloride
CID 119869844
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119761379
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
CID 97249140
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
4-[2-methyl-5-(thiomorpholin-4-ylmethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029750
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119870055
4-ethoxy-3-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 86938238
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide (CID 119869951) is 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide is Cc1ccc(CN2CCSCC2)cc1NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The InChIKey is HFBXAIMTRKFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-16-8-9-18(15-25-10-12-27-13-11-25)14-20(16)24-22(26)17(2)21(23)19-6-4-3-5-7-19/h3-9,14,17,21H,10-13,15,23H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide has a molecular weight of 383.56 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119869951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).