2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide

C13H21ClN2OS — CID 86908502

IUPAC2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(C)C(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-5-16(8-11-6-7-12(14)18-11)9-13(17)15(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyGLNXIKWNKIQSDD-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.09
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 86908502) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID86908502
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(C)C(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-5-16(8-11-6-7-12(14)18-11)9-13(17)15(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyGLNXIKWNKIQSDD-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26625829
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
CID 34704743
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 112796459
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide (CID 86908502) is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide is CCN(CC(=O)N(C)C(C)C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GLNXIKWNKIQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-5-16(8-11-6-7-12(14)18-11)9-13(17)15(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 288.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 86908502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).