(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide

C17H22N2O3S — CID 110351245

IUPAC(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C17H22N2O3S/c1-12(2)9-15(17(21)18-11-13-5-3-7-22-13)19-16(20)10-14-6-4-8-23-14/h3-8,12,15H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyGNVIUWIUGZGCGE-HNNXBMFYSA-N
MW334.44 g/mol
LogP2.73
Rot. Bonds8

About (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide

(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide (PubChem CID 110351245) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
PubChem CID110351245
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C17H22N2O3S/c1-12(2)9-15(17(21)18-11-13-5-3-7-22-13)19-16(20)10-14-6-4-8-23-14/h3-8,12,15H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyGNVIUWIUGZGCGE-HNNXBMFYSA-N
XLogP2.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
CID 110351255
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351292
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 56927752

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide (CID 110351245) is (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide is CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide?
The InChIKey is GNVIUWIUGZGCGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12(2)9-15(17(21)18-11-13-5-3-7-22-13)19-16(20)10-14-6-4-8-23-14/h3-8,12,15H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide?
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide has a molecular weight of 334.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide is sourced from PubChem (CID 110351245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).