N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C13H20N2O2S — CID 112995358

IUPACN-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCCCCN(C)C(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O2S/c1-3-4-7-15(2)13(17)10-14-12(16)9-11-6-5-8-18-11/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,14,16)
InChIKeyBPQNLQTYQQGTLZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.67
Rot. Bonds7

About N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 112995358) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID112995358
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCCCCN(C)C(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O2S/c1-3-4-7-15(2)13(17)10-14-12(16)9-11-6-5-8-18-11/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,14,16)
InChIKeyBPQNLQTYQQGTLZ-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
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2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
CID 122180360
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
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2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 134049303
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
CID 110298043
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
CID 82962492

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 112995358) is N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is CCCCN(C)C(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BPQNLQTYQQGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-4-7-15(2)13(17)10-14-12(16)9-11-6-5-8-18-11/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112995358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).