N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide

C21H26N2O3S — CID 1460473

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-26-18-11-9-17(10-12-18)23(21(25)19-13-8-15(2)27-19)14-20(24)22-16-6-4-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,22,24)
InChIKeyWNFSQCKBHXJRHC-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 1460473) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID1460473
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-26-18-11-9-17(10-12-18)23(21(25)19-13-8-15(2)27-19)14-20(24)22-16-6-4-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,22,24)
InChIKeyWNFSQCKBHXJRHC-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-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-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide (CID 1460473) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide is CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is WNFSQCKBHXJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-26-18-11-9-17(10-12-18)23(21(25)19-13-8-15(2)27-19)14-20(24)22-16-6-4-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1460473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).