2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C19H25N3O4S — CID 9460688

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1OC
InChIInChI=1S/C19H25N3O4S/c1-13-8-16(25-3)17(26-4)9-14(13)11-22(2)12-18(23)21-19(24)20-10-15-6-5-7-27-15/h5-9H,10-12H2,1-4H3,(H2,20,21,23,24)
InChIKeyLCSNAVONQWBAJM-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.53
Rot. Bonds8

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 9460688) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID9460688
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1OC
InChIInChI=1S/C19H25N3O4S/c1-13-8-16(25-3)17(26-4)9-14(13)11-22(2)12-18(23)21-19(24)20-10-15-6-5-7-27-15/h5-9H,10-12H2,1-4H3,(H2,20,21,23,24)
InChIKeyLCSNAVONQWBAJM-UHFFFAOYSA-N
XLogP2.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium
CID 9460687
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40761111
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40741355
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24682256
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 37422554
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40760677
N-(cyclopentylcarbamoyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8551255
N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
CID 55432120
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 8680286

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 9460688) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is COc1cc(C)c(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is LCSNAVONQWBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-8-16(25-3)17(26-4)9-14(13)11-22(2)12-18(23)21-19(24)20-10-15-6-5-7-27-15/h5-9H,10-12H2,1-4H3,(H2,20,21,23,24).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9460688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).