3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide

C22H27N3O2S — CID 119761379

IUPAC3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
SMILESCc1c(NC(=O)C(C)C(N)c2ccccc2)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C22H27N3O2S/c1-15-18(22(27)25-11-13-28-14-12-25)9-6-10-19(15)24-21(26)16(2)20(23)17-7-4-3-5-8-17/h3-10,16,20H,11-14,23H2,1-2H3,(H,24,26)
InChIKeyFVCNLPDZLDWFSJ-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.46
Rot. Bonds5

About 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 119761379) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID119761379
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
SMILESCc1c(NC(=O)C(C)C(N)c2ccccc2)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C22H27N3O2S/c1-15-18(22(27)25-11-13-28-14-12-25)9-6-10-19(15)24-21(26)16(2)20(23)17-7-4-3-5-8-17/h3-10,16,20H,11-14,23H2,1-2H3,(H,24,26)
InChIKeyFVCNLPDZLDWFSJ-UHFFFAOYSA-N
XLogP3.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119760322
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119761388
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119869951
N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427451
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide (CID 119761379) is 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide is Cc1c(NC(=O)C(C)C(N)c2ccccc2)cccc1C(=O)N1CCSCC1.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is FVCNLPDZLDWFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-15-18(22(27)25-11-13-28-14-12-25)9-6-10-19(15)24-21(26)16(2)20(23)17-7-4-3-5-8-17/h3-10,16,20H,11-14,23H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 397.54 g/mol, XLogP of 3.46, 5 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-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119761379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).