2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C19H23ClN2O2S2 — CID 8623686

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CSCc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C19H23ClN2O2S2/c1-12-7-13(2)19(14(3)8-12)21-17(23)9-22(4)18(24)11-25-10-15-5-6-16(20)26-15/h5-8H,9-11H2,1-4H3,(H,21,23)
InChIKeyLGDNWQHRFHMINA-UHFFFAOYSA-N
MW410.99 g/mol
LogP4.66
Rot. Bonds7

About 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8623686) has the molecular formula C19H23ClN2O2S2 and a molecular weight of 410.99 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8623686
Molecular FormulaC19H23ClN2O2S2
Molecular Weight410.99 g/mol
Exact Mass410.09
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CSCc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C19H23ClN2O2S2/c1-12-7-13(2)19(14(3)8-12)21-17(23)9-22(4)18(24)11-25-10-15-5-6-16(20)26-15/h5-8H,9-11H2,1-4H3,(H,21,23)
InChIKeyLGDNWQHRFHMINA-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475930
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-(2,6-dichlorophenyl)-2-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 27807243
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 39735396
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9429343
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid
CID 62626392
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-2-methylpropanoic acid
CID 62818490
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43546509
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753437
N,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31523361

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 8623686) is 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)CSCc2ccc(Cl)s2)c(C)c1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is LGDNWQHRFHMINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S2/c1-12-7-13(2)19(14(3)8-12)21-17(23)9-22(4)18(24)11-25-10-15-5-6-16(20)26-15/h5-8H,9-11H2,1-4H3,(H,21,23).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 410.99 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8623686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).