2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone

C17H20ClNOS — CID 63565774

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C17H20ClNOS/c1-11-7-12(2)17(13(3)8-11)15(20)10-19(4)9-14-5-6-16(18)21-14/h5-8H,9-10H2,1-4H3
InChIKeyQBHIDCBGABMQCS-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.64
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 63565774) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID63565774
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C17H20ClNOS/c1-11-7-12(2)17(13(3)8-11)15(20)10-19(4)9-14-5-6-16(18)21-14/h5-8H,9-10H2,1-4H3
InChIKeyQBHIDCBGABMQCS-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60676850
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63566486
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62053237
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-oxobutanenitrile
CID 117038458
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 62050506
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone (CID 63565774) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)c1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is QBHIDCBGABMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-11-7-12(2)17(13(3)8-11)15(20)10-19(4)9-14-5-6-16(18)21-14/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 321.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 63565774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).