N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide

C17H21NO3S — CID 110007853

IUPACN-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)N(C)C(CCO)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-18(15(8-10-19)13-6-4-3-5-7-13)17(20)16-14(12-21-2)9-11-22-16/h3-7,9,11,15,19H,8,10,12H2,1-2H3
InChIKeyRGDOYXURMZIDOR-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.09
Rot. Bonds7

About N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide

N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide (PubChem CID 110007853) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide
PubChem CID110007853
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)N(C)C(CCO)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-18(15(8-10-19)13-6-4-3-5-7-13)17(20)16-14(12-21-2)9-11-22-16/h3-7,9,11,15,19H,8,10,12H2,1-2H3
InChIKeyRGDOYXURMZIDOR-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide 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-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97347114
2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 120540500
3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide
CID 86785053
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
2,4,5-trifluoro-3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N-methylbenzamide
CID 86789930
(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-(3-hydroxy-1-phenylpropyl)-N-methylacetamide
CID 110016416
[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid
CID 148920800
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525452
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide (CID 110007853) is N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide is COCc1ccsc1C(=O)N(C)C(CCO)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is RGDOYXURMZIDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-18(15(8-10-19)13-6-4-3-5-7-13)17(20)16-14(12-21-2)9-11-22-16/h3-7,9,11,15,19H,8,10,12H2,1-2H3.
What are the key properties of N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide?
N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 110007853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).