N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide

C17H20N2O3S — CID 111452114

IUPACN-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
SMILESCC(O)(CNC(=O)CNC(=O)Cc1ccccc1)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-17(22,14-7-8-23-11-14)12-19-16(21)10-18-15(20)9-13-5-3-2-4-6-13/h2-8,11,22H,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyWXHNCDGLBCBCLB-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.43
Rot. Bonds7

About N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 111452114) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID111452114
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
SMILESCC(O)(CNC(=O)CNC(=O)Cc1ccccc1)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-17(22,14-7-8-23-11-14)12-19-16(21)10-18-15(20)9-13-5-3-2-4-6-13/h2-8,11,22H,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyWXHNCDGLBCBCLB-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
CID 111452131
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide (CID 111452114) is N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide is CC(O)(CNC(=O)CNC(=O)Cc1ccccc1)c1ccsc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is WXHNCDGLBCBCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-17(22,14-7-8-23-11-14)12-19-16(21)10-18-15(20)9-13-5-3-2-4-6-13/h2-8,11,22H,9-10,12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 332.43 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 111452114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).