N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide

C17H14N2O2S — CID 17499352

IUPACN-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide
SMILESNC(=O)CN(C(=O)c1cc2ccccc2s1)c1ccccc1
InChIInChI=1S/C17H14N2O2S/c18-16(20)11-19(13-7-2-1-3-8-13)17(21)15-10-12-6-4-5-9-14(12)22-15/h1-10H,11H2,(H2,18,20)
InChIKeyQYADKZPEZPNCEC-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.03
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 17499352) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID17499352
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide
SMILESNC(=O)CN(C(=O)c1cc2ccccc2s1)c1ccccc1
InChIInChI=1S/C17H14N2O2S/c18-16(20)11-19(13-7-2-1-3-8-13)17(21)15-10-12-6-4-5-9-14(12)22-15/h1-10H,11H2,(H2,18,20)
InChIKeyQYADKZPEZPNCEC-UHFFFAOYSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide (CID 17499352) is N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide is NC(=O)CN(C(=O)c1cc2ccccc2s1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is QYADKZPEZPNCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c18-16(20)11-19(13-7-2-1-3-8-13)17(21)15-10-12-6-4-5-9-14(12)22-15/h1-10H,11H2,(H2,18,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17499352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).