2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide

C15H17ClN2OS — CID 31666457

IUPAC2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)NCCc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-11-13(16)5-2-6-14(11)18-10-15(19)17-8-7-12-4-3-9-20-12/h2-6,9,18H,7-8,10H2,1H3,(H,17,19)
InChIKeyLTQGNVGNXOZUGO-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.48
Rot. Bonds6

About 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide

2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 31666457) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID31666457
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)NCCc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-11-13(16)5-2-6-14(11)18-10-15(19)17-8-7-12-4-3-9-20-12/h2-6,9,18H,7-8,10H2,1H3,(H,17,19)
InChIKeyLTQGNVGNXOZUGO-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
2-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 24519302
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 55446616
2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499467
N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807938
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 21110298
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide (CID 31666457) is 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide is Cc1c(Cl)cccc1NCC(=O)NCCc1cccs1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is LTQGNVGNXOZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-11-13(16)5-2-6-14(11)18-10-15(19)17-8-7-12-4-3-9-20-12/h2-6,9,18H,7-8,10H2,1H3,(H,17,19).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide?
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 308.83 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 31666457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).