2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide

C21H25N3O2S — CID 120590930

IUPAC2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2S/c1-21(22,17-5-3-2-4-6-17)20(26)23-18-9-7-16(8-10-18)15-19(25)24-11-13-27-14-12-24/h2-10H,11-15,22H2,1H3,(H,23,26)
InChIKeySZNZTELQVBDNGY-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide

2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide (PubChem CID 120590930) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
PubChem CID120590930
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2S/c1-21(22,17-5-3-2-4-6-17)20(26)23-18-9-7-16(8-10-18)15-19(25)24-11-13-27-14-12-24/h2-10H,11-15,22H2,1H3,(H,23,26)
InChIKeySZNZTELQVBDNGY-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552548
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610178
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
CID 62488562
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56552323

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide (CID 120590930) is 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide is CC(N)(C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide?
The InChIKey is SZNZTELQVBDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-21(22,17-5-3-2-4-6-17)20(26)23-18-9-7-16(8-10-18)15-19(25)24-11-13-27-14-12-24/h2-10H,11-15,22H2,1H3,(H,23,26).
What are the key properties of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide?
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide has a molecular weight of 383.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide is sourced from PubChem (CID 120590930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).