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

C17H25N3O2S — CID 119310610

IUPAC2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-2-3-15(18)17(22)19-14-6-4-13(5-7-14)12-16(21)20-8-10-23-11-9-20/h4-7,15H,2-3,8-12,18H2,1H3,(H,19,22)
InChIKeyMMRPFIPOVFFKJP-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.87
Rot. Bonds6

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

2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide (PubChem CID 119310610) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
PubChem CID119310610
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-2-3-15(18)17(22)19-14-6-4-13(5-7-14)12-16(21)20-8-10-23-11-9-20/h4-7,15H,2-3,8-12,18H2,1H3,(H,19,22)
InChIKeyMMRPFIPOVFFKJP-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
CID 52816902
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
CID 119860866
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
CID 120590930
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 56518670

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide (CID 119310610) is 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1.
What is the InChIKey of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide?
The InChIKey is MMRPFIPOVFFKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-3-15(18)17(22)19-14-6-4-13(5-7-14)12-16(21)20-8-10-23-11-9-20/h4-7,15H,2-3,8-12,18H2,1H3,(H,19,22).
What are the key properties of 2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide?
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide has a molecular weight of 335.47 g/mol, XLogP of 1.87, 6 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]pentanamide is sourced from PubChem (CID 119310610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).