N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

C24H26N2O4S — CID 25163248

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2sccc2-c2ccccc2)cc1OCC
InChIInChI=1S/C24H26N2O4S/c1-4-29-20-12-11-18(15-21(20)30-5-2)25-22(27)16-26(3)24(28)23-19(13-14-31-23)17-9-7-6-8-10-17/h6-15H,4-5,16H2,1-3H3,(H,25,27)
InChIKeyWLWQVJWOVFMFGM-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.92
Rot. Bonds9

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 25163248) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID25163248
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2sccc2-c2ccccc2)cc1OCC
InChIInChI=1S/C24H26N2O4S/c1-4-29-20-12-11-18(15-21(20)30-5-2)25-22(27)16-26(3)24(28)23-19(13-14-31-23)17-9-7-6-8-10-17/h6-15H,4-5,16H2,1-3H3,(H,25,27)
InChIKeyWLWQVJWOVFMFGM-UHFFFAOYSA-N
XLogP4.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (CID 25163248) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2sccc2-c2ccccc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is WLWQVJWOVFMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-29-20-12-11-18(15-21(20)30-5-2)25-22(27)16-26(3)24(28)23-19(13-14-31-23)17-9-7-6-8-10-17/h6-15H,4-5,16H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 25163248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).