N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C17H20N2O4S — CID 2566493

IUPACN-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C17H20N2O4S/c1-19(11-12-6-7-13(22-2)9-14(12)23-3)16(20)10-18-17(21)15-5-4-8-24-15/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyZLVPZTWBEHSRIF-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.15
Rot. Bonds7

About N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 2566493) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID2566493
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C17H20N2O4S/c1-19(11-12-6-7-13(22-2)9-14(12)23-3)16(20)10-18-17(21)15-5-4-8-24-15/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyZLVPZTWBEHSRIF-UHFFFAOYSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 2566493) is N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZLVPZTWBEHSRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(11-12-6-7-13(22-2)9-14(12)23-3)16(20)10-18-17(21)15-5-4-8-24-15/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2566493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).