2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide

C18H23NO4S — CID 131911607

IUPAC2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccccc1OCC(O)C(=O)N(CCO)Cc1sccc1C
InChIInChI=1S/C18H23NO4S/c1-13-5-3-4-6-16(13)23-12-15(21)18(22)19(8-9-20)11-17-14(2)7-10-24-17/h3-7,10,15,20-21H,8-9,11-12H2,1-2H3
InChIKeyIYPFIMYSDZBGBC-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.13
Rot. Bonds8

About 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide

2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 131911607) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID131911607
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccccc1OCC(O)C(=O)N(CCO)Cc1sccc1C
InChIInChI=1S/C18H23NO4S/c1-13-5-3-4-6-16(13)23-12-15(21)18(22)19(8-9-20)11-17-14(2)7-10-24-17/h3-7,10,15,20-21H,8-9,11-12H2,1-2H3
InChIKeyIYPFIMYSDZBGBC-UHFFFAOYSA-N
XLogP2.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide 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

1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
3-[2-(dimethylamino)butyl]-1-(2-hydroxyethyl)-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565192
N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 50955315
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883758
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
N-(2-hydroxyethyl)-2-(2-methylphenoxy)-N-prop-2-enylacetamide
CID 113340576
3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115882869
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 131911607) is 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccccc1OCC(O)C(=O)N(CCO)Cc1sccc1C.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is IYPFIMYSDZBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-13-5-3-4-6-16(13)23-12-15(21)18(22)19(8-9-20)11-17-14(2)7-10-24-17/h3-7,10,15,20-21H,8-9,11-12H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 349.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 131911607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).