2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H19ClN2OS — CID 60676850

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)n1C
InChIInChI=1S/C15H19ClN2OS/c1-10-7-13(11(2)18(10)4)14(19)9-17(3)8-12-5-6-15(16)20-12/h5-7H,8-9H2,1-4H3
InChIKeyMBKGENJPRZOCJM-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.67
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60676850) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60676850
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)n1C
InChIInChI=1S/C15H19ClN2OS/c1-10-7-13(11(2)18(10)4)14(19)9-17(3)8-12-5-6-15(16)20-12/h5-7H,8-9H2,1-4H3
InChIKeyMBKGENJPRZOCJM-UHFFFAOYSA-N
XLogP3.67
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60650520
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63565774
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
CID 62050511
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
CID 8551600
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-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63584688
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60676850) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)n1C.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is MBKGENJPRZOCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10-7-13(11(2)18(10)4)14(19)9-17(3)8-12-5-6-15(16)20-12/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 310.85 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60676850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).