2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide

C17H26N2O2S — CID 3240904

IUPAC2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(C)=O
InChIInChI=1S/C17H26N2O2S/c1-4-17(3,16(21)18-14-8-5-6-9-14)19(13(2)20)12-15-10-7-11-22-15/h7,10-11,14H,4-6,8-9,12H2,1-3H3,(H,18,21)
InChIKeyDHEATLGDFQKZLS-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.32
Rot. Bonds6

About 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide

2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide (PubChem CID 3240904) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide.

Molecular Properties

Compound Name2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide
PubChem CID3240904
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(C)=O
InChIInChI=1S/C17H26N2O2S/c1-4-17(3,16(21)18-14-8-5-6-9-14)19(13(2)20)12-15-10-7-11-22-15/h7,10-11,14H,4-6,8-9,12H2,1-3H3,(H,18,21)
InChIKeyDHEATLGDFQKZLS-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
The IUPAC name of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide (CID 3240904) is 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide.
What is the SMILES notation for 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
The canonical SMILES for 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide is CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(C)=O.
What is the InChIKey of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
The InChIKey is DHEATLGDFQKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-17(3,16(21)18-14-8-5-6-9-14)19(13(2)20)12-15-10-7-11-22-15/h7,10-11,14H,4-6,8-9,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide has a molecular weight of 322.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide is sourced from PubChem (CID 3240904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).