N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C18H22N2O4S — CID 2537535

IUPACN-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C18H22N2O4S/c1-12-4-7-16(25-12)18(22)20-11-17(21)19-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyIZENEEXKHSGBIG-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.16
Rot. Bonds8

About N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 2537535) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID2537535
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C18H22N2O4S/c1-12-4-7-16(25-12)18(22)20-11-17(21)19-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyIZENEEXKHSGBIG-UHFFFAOYSA-N
XLogP2.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 2537535) is N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is COc1ccc(CCNC(=O)CNC(=O)c2ccc(C)s2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is IZENEEXKHSGBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-4-7-16(25-12)18(22)20-11-17(21)19-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2537535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).