(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide

C12H19ClN2OS — CID 103928730

IUPAC(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)[C@H](N)C(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-7(8-5-6-9(13)17-8)15-11(16)10(14)12(2,3)4/h5-7,10H,14H2,1-4H3,(H,15,16)/t7?,10-/m0/s1
InChIKeyBDAZDNBHVZLTCM-MHPPCMCBSA-N
MW274.82 g/mol
LogP2.95
Rot. Bonds3

About (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 103928730) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID103928730
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)[C@H](N)C(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-7(8-5-6-9(13)17-8)15-11(16)10(14)12(2,3)4/h5-7,10H,14H2,1-4H3,(H,15,16)/t7?,10-/m0/s1
InChIKeyBDAZDNBHVZLTCM-MHPPCMCBSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)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

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904813
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76925998
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide (CID 103928730) is (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)[C@H](N)C(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is BDAZDNBHVZLTCM-MHPPCMCBSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-7(8-5-6-9(13)17-8)15-11(16)10(14)12(2,3)4/h5-7,10H,14H2,1-4H3,(H,15,16)/t7?,10-/m0/s1.
What are the key properties of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 274.82 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).