(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide

C13H21ClN2OS — CID 61163680

IUPAC(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H21ClN2OS/c1-5-16(8-9-6-7-10(14)18-9)12(17)11(15)13(2,3)4/h6-7,11H,5,8,15H2,1-4H3/t11-/m1/s1
InChIKeyAYBRQOBETNJILG-LLVKDONJSA-N
MW288.84 g/mol
LogP3.12
Rot. Bonds4

About (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide

(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide (PubChem CID 61163680) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
PubChem CID61163680
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H21ClN2OS/c1-5-16(8-9-6-7-10(14)18-9)12(17)11(15)13(2,3)4/h6-7,11H,5,8,15H2,1-4H3/t11-/m1/s1
InChIKeyAYBRQOBETNJILG-LLVKDONJSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide 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

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 116611485
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290079
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
CID 55361168
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide (CID 61163680) is (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide is CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is AYBRQOBETNJILG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-5-16(8-9-6-7-10(14)18-9)12(17)11(15)13(2,3)4/h6-7,11H,5,8,15H2,1-4H3/t11-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 288.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 61163680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).