N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide

C12H18N2O2S — CID 18170202

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)13-10(15)7-14(4)11(16)9-5-6-17-8-9/h5-6,8H,7H2,1-4H3,(H,13,15)
InChIKeyVXQKTCWNZSAOEH-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.73
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide (PubChem CID 18170202) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
PubChem CID18170202
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)13-10(15)7-14(4)11(16)9-5-6-17-8-9/h5-6,8H,7H2,1-4H3,(H,13,15)
InChIKeyVXQKTCWNZSAOEH-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-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-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 31550657
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide
CID 95382922
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
CID 60724448

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide (CID 18170202) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccsc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is VXQKTCWNZSAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,3)13-10(15)7-14(4)11(16)9-5-6-17-8-9/h5-6,8H,7H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 18170202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).