(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide

C18H24N2OS — CID 69222806

IUPAC(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide
SMILESCCN(c1sccc1-c1ccccc1)[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C18H24N2OS/c1-4-20(16(17(19)21)12-13(2)3)18-15(10-11-22-18)14-8-6-5-7-9-14/h5-11,13,16H,4,12H2,1-3H3,(H2,19,21)/t16-/m0/s1
InChIKeyLSFXQVALJKTBQX-INIZCTEOSA-N
MW316.47 g/mol
LogP4.14
Rot. Bonds7

About (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide

(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide (PubChem CID 69222806) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide
PubChem CID69222806
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide
SMILESCCN(c1sccc1-c1ccccc1)[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C18H24N2OS/c1-4-20(16(17(19)21)12-13(2)3)18-15(10-11-22-18)14-8-6-5-7-9-14/h5-11,13,16H,4,12H2,1-3H3,(H2,19,21)/t16-/m0/s1
InChIKeyLSFXQVALJKTBQX-INIZCTEOSA-N
XLogP4.14
TPSA46.33 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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide (CID 69222806) is (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide is CCN(c1sccc1-c1ccccc1)[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide?
The InChIKey is LSFXQVALJKTBQX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-20(16(17(19)21)12-13(2)3)18-15(10-11-22-18)14-8-6-5-7-9-14/h5-11,13,16H,4,12H2,1-3H3,(H2,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide?
(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide has a molecular weight of 316.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide is sourced from PubChem (CID 69222806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).