(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide

C18H24N2OS — CID 69222809

IUPAC(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide
SMILESCCN(C(=O)[C@H](CC(C)C)Nc1ccccc1)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-4-20(17-11-8-12-22-17)18(21)16(13-14(2)3)19-15-9-6-5-7-10-15/h5-12,14,16,19H,4,13H2,1-3H3/t16-/m0/s1
InChIKeyZPCRXRSKIOJRDD-INIZCTEOSA-N
MW316.47 g/mol
LogP4.63
Rot. Bonds7

About (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide

(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide (PubChem CID 69222809) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide
PubChem CID69222809
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide
SMILESCCN(C(=O)[C@H](CC(C)C)Nc1ccccc1)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-4-20(17-11-8-12-22-17)18(21)16(13-14(2)3)19-15-9-6-5-7-10-15/h5-12,14,16,19H,4,13H2,1-3H3/t16-/m0/s1
InChIKeyZPCRXRSKIOJRDD-INIZCTEOSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide?
The IUPAC name of (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide (CID 69222809) is (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide.
What is the SMILES notation for (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide?
The canonical SMILES for (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide is CCN(C(=O)[C@H](CC(C)C)Nc1ccccc1)c1cccs1.
What is the InChIKey of (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide?
The InChIKey is ZPCRXRSKIOJRDD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-20(17-11-8-12-22-17)18(21)16(13-14(2)3)19-15-9-6-5-7-10-15/h5-12,14,16,19H,4,13H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide?
(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide has a molecular weight of 316.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide is sourced from PubChem (CID 69222809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).