3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide

C11H16ClNOS — CID 82085991

IUPAC3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)CC(c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C11H16ClNOS/c1-7(2)8(6-11(14)13-3)9-4-5-10(12)15-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyXPUJZBKBBAWHJL-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.28
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide

3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide (PubChem CID 82085991) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide
PubChem CID82085991
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)CC(c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C11H16ClNOS/c1-7(2)8(6-11(14)13-3)9-4-5-10(12)15-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyXPUJZBKBBAWHJL-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
(2R)-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylpropanamide
CID 103932076
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
CID 114232220
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
2-(5-chlorothiophen-2-yl)-3-methylbutanenitrile
CID 82076378
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119785493
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide (CID 82085991) is 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide is CNC(=O)CC(c1ccc(Cl)s1)C(C)C.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide?
The InChIKey is XPUJZBKBBAWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7(2)8(6-11(14)13-3)9-4-5-10(12)15-9/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide?
3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide has a molecular weight of 245.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide is sourced from PubChem (CID 82085991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).