N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide

C13H17ClN2OS — CID 14820988

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2OS/c1-8(10-5-6-11(14)18-10)16-12(17)9(7-15)13(2,3)4/h5-6,8-9H,1-4H3,(H,16,17)
InChIKeyJNUIBNQPDGHESC-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.76
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide (PubChem CID 14820988) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide
PubChem CID14820988
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2OS/c1-8(10-5-6-11(14)18-10)16-12(17)9(7-15)13(2,3)4/h5-6,8-9H,1-4H3,(H,16,17)
InChIKeyJNUIBNQPDGHESC-UHFFFAOYSA-N
XLogP3.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide 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

3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
CID 51077583
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
CID 51077584
2,2-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76319664
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide
CID 43705072
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
CID 45879040
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide
CID 47043521
1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 56814357
2,2-dichloro-N-[1-(4-chlorothiophen-2-yl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76315938
N-[2-(5-chlorothiophen-3-yl)ethyl]-2-cyano-3,3-dimethylbutanamide
CID 76323261
2,2-dichloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76326838
2,2-dichloro-N-[1-(4,5-dichlorothiophen-2-yl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76330521
3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 95278312

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide (CID 14820988) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide is CC(NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide?
The InChIKey is JNUIBNQPDGHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-8(10-5-6-11(14)18-10)16-12(17)9(7-15)13(2,3)4/h5-6,8-9H,1-4H3,(H,16,17).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide has a molecular weight of 284.81 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide is sourced from PubChem (CID 14820988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).