2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

C14H15ClN2OS — CID 61109023

IUPAC2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H15ClN2OS/c1-9(13-4-3-7-19-13)17(2)14(18)11-8-10(15)5-6-12(11)16/h3-9H,16H2,1-2H3
InChIKeyVGVFDHHCUFXBKV-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.82
Rot. Bonds3

About 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 61109023) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID61109023
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H15ClN2OS/c1-9(13-4-3-7-19-13)17(2)14(18)11-8-10(15)5-6-12(11)16/h3-9H,16H2,1-2H3
InChIKeyVGVFDHHCUFXBKV-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
CID 106853561
2-fluoro-4-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 103605936
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-amino-5-chlorobenzoate
CID 17395295

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (CID 61109023) is 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is CC(c1cccs1)N(C)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is VGVFDHHCUFXBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(13-4-3-7-19-13)17(2)14(18)11-8-10(15)5-6-12(11)16/h3-9H,16H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 61109023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).