N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide

C12H19ClN2OS — CID 51223592

IUPACN-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-12(2,3)14-11(16)8-15(4)7-9-5-6-10(13)17-9/h5-6H,7-8H2,1-4H3,(H,14,16)
InChIKeyIVBARRXYJFUNNC-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.75
Rot. Bonds4

About N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide

N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide (PubChem CID 51223592) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
PubChem CID51223592
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC NameN-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-12(2,3)14-11(16)8-15(4)7-9-5-6-10(13)17-9/h5-6H,7-8H2,1-4H3,(H,14,16)
InChIKeyIVBARRXYJFUNNC-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide 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-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 34093228
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-oxobutanenitrile
CID 117038458
ethyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]butanoate
CID 86908410
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide (CID 51223592) is N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)Cc1ccc(Cl)s1.
What is the InChIKey of N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The InChIKey is IVBARRXYJFUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-12(2,3)14-11(16)8-15(4)7-9-5-6-10(13)17-9/h5-6H,7-8H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide has a molecular weight of 274.82 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 51223592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).