N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

C16H19ClN2OS — CID 8717964

IUPACN-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)Cc1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-3-19(10-13-6-5-9-21-13)11-16(20)18-15-8-4-7-14(17)12(15)2/h4-9H,3,10-11H2,1-2H3,(H,18,20)
InChIKeyDTYAWGPLDUQNGJ-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.17
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8717964) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8717964
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)Cc1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-3-19(10-13-6-5-9-21-13)11-16(20)18-15-8-4-7-14(17)12(15)2/h4-9H,3,10-11H2,1-2H3,(H,18,20)
InChIKeyDTYAWGPLDUQNGJ-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717968
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 30962932
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595
N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718056
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8717964) is N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1cccc(Cl)c1C)Cc1cccs1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is DTYAWGPLDUQNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-3-19(10-13-6-5-9-21-13)11-16(20)18-15-8-4-7-14(17)12(15)2/h4-9H,3,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 322.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8717964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).