N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide

C12H19NO2S — CID 104936594

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)(C)O)c(C)s1
InChIInChI=1S/C12H19NO2S/c1-7-6-10(9(3)16-7)8(2)13-11(14)12(4,5)15/h6,8,15H,1-5H3,(H,13,14)
InChIKeyVVNZVBOGBOVQBL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide (PubChem CID 104936594) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
PubChem CID104936594
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)(C)O)c(C)s1
InChIInChI=1S/C12H19NO2S/c1-7-6-10(9(3)16-7)8(2)13-11(14)12(4,5)15/h6,8,15H,1-5H3,(H,13,14)
InChIKeyVVNZVBOGBOVQBL-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide 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

1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547961
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921300
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 124592558
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179370
methyl 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-hydroxy-2-methylpropanoate
CID 104644203
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea
CID 115579469
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54938162
tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 66338499
3-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-oxobutanoic acid
CID 64894505

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide (CID 104936594) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide is Cc1cc(C(C)NC(=O)C(C)(C)O)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is VVNZVBOGBOVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-7-6-10(9(3)16-7)8(2)13-11(14)12(4,5)15/h6,8,15H,1-5H3,(H,13,14).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 104936594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).