N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

C20H17ClN2O2S — CID 38631876

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-23(13-18(24)22-17-10-6-5-9-16(17)21)20(25)19-15(11-12-26-19)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeyNYQDBVBZKUELKC-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.78
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 38631876) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID38631876
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-23(13-18(24)22-17-10-6-5-9-16(17)21)20(25)19-15(11-12-26-19)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeyNYQDBVBZKUELKC-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (CID 38631876) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is NYQDBVBZKUELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-23(13-18(24)22-17-10-6-5-9-16(17)21)20(25)19-15(11-12-26-19)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 38631876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).