2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide

C13H13ClN2OS — CID 115285851

IUPAC2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(N)c1cccs1
InChIInChI=1S/C13H13ClN2OS/c1-8-9(14)4-2-5-10(8)16-13(17)12(15)11-6-3-7-18-11/h2-7,12H,15H2,1H3,(H,16,17)
InChIKeyBHJVHGUKUVPZBB-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.35
Rot. Bonds3

About 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide

2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 115285851) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
PubChem CID115285851
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(N)c1cccs1
InChIInChI=1S/C13H13ClN2OS/c1-8-9(14)4-2-5-10(8)16-13(17)12(15)11-6-3-7-18-11/h2-7,12H,15H2,1H3,(H,16,17)
InChIKeyBHJVHGUKUVPZBB-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
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CID 76892391
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 94288943
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide (CID 115285851) is 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide is Cc1c(Cl)cccc1NC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is BHJVHGUKUVPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8-9(14)4-2-5-10(8)16-13(17)12(15)11-6-3-7-18-11/h2-7,12H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide?
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 280.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115285851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).