N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide

C17H26N2O2S — CID 3886247

IUPACN-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C17H26N2O2S/c1-4-17(2,16(21)18-13-8-5-6-9-13)19(3)15(20)12-14-10-7-11-22-14/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H,18,21)
InChIKeyWFWVNUOXVNAYAR-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.98
Rot. Bonds6

About N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide

N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide (PubChem CID 3886247) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide
PubChem CID3886247
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C17H26N2O2S/c1-4-17(2,16(21)18-13-8-5-6-9-13)19(3)15(20)12-14-10-7-11-22-14/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H,18,21)
InChIKeyWFWVNUOXVNAYAR-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide?
The IUPAC name of N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide (CID 3886247) is N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide is CCC(C)(C(=O)NC1CCCC1)N(C)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide?
The InChIKey is WFWVNUOXVNAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-17(2,16(21)18-13-8-5-6-9-13)19(3)15(20)12-14-10-7-11-22-14/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H,18,21).
What are the key properties of N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide?
N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide has a molecular weight of 322.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-2-[methyl-(2-thiophen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 3886247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).