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

C18H22N2O4S — CID 51124684

IUPACN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)CN(C)C(=O)c2cccs2)c1
InChIInChI=1S/C18H22N2O4S/c1-20(18(22)16-5-4-10-25-16)12-17(21)19-9-8-13-11-14(23-2)6-7-15(13)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,21)
InChIKeyIEZXTJVNNRDRNI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.20
Rot. Bonds8

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

N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 51124684) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID51124684
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)CN(C)C(=O)c2cccs2)c1
InChIInChI=1S/C18H22N2O4S/c1-20(18(22)16-5-4-10-25-16)12-17(21)19-9-8-13-11-14(23-2)6-7-15(13)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,21)
InChIKeyIEZXTJVNNRDRNI-UHFFFAOYSA-N
XLogP2.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 86985377
N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47921780
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51102871
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 33080763
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 51124684) is N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is COc1ccc(OC)c(CCNC(=O)CN(C)C(=O)c2cccs2)c1.
What is the InChIKey of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IEZXTJVNNRDRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(18(22)16-5-4-10-25-16)12-17(21)19-9-8-13-11-14(23-2)6-7-15(13)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 51124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).