N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C17H24N2O4S — CID 9162188

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN2CSCC2=O)cc1OCC
InChIInChI=1S/C17H24N2O4S/c1-4-22-14-7-6-13(8-15(14)23-5-2)12(3)18-16(20)9-19-11-24-10-17(19)21/h6-8,12H,4-5,9-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyDMURXNQQVWYEIZ-LBPRGKRZSA-N
MW352.46 g/mol
LogP2.19
Rot. Bonds8

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9162188) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9162188
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN2CSCC2=O)cc1OCC
InChIInChI=1S/C17H24N2O4S/c1-4-22-14-7-6-13(8-15(14)23-5-2)12(3)18-16(20)9-19-11-24-10-17(19)21/h6-8,12H,4-5,9-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyDMURXNQQVWYEIZ-LBPRGKRZSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 16549115
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 43469224
2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 100701725

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9162188) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CCOc1ccc([C@H](C)NC(=O)CN2CSCC2=O)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is DMURXNQQVWYEIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-22-14-7-6-13(8-15(14)23-5-2)12(3)18-16(20)9-19-11-24-10-17(19)21/h6-8,12H,4-5,9-11H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9162188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).