N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide

C13H13ClN2OS — CID 91677806

IUPACN-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide
SMILESCCNc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C13H13ClN2OS/c1-2-15-9-5-6-11(10(14)8-9)16-13(17)12-4-3-7-18-12/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyWDXKEFXSJILZCE-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.09
Rot. Bonds4

About N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide

N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide (PubChem CID 91677806) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide
PubChem CID91677806
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide
SMILESCCNc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C13H13ClN2OS/c1-2-15-9-5-6-11(10(14)8-9)16-13(17)12-4-3-7-18-12/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyWDXKEFXSJILZCE-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-4-(ethylamino)phenyl]thiophene-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

Related Compounds

N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 17296780
N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide
CID 4278624
4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoate
CID 6979012
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60528117
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide (CID 91677806) is N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide is CCNc1ccc(NC(=O)c2cccs2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is WDXKEFXSJILZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-15-9-5-6-11(10(14)8-9)16-13(17)12-4-3-7-18-12/h3-8,15H,2H2,1H3,(H,16,17).
What are the key properties of N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide?
N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 91677806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).