2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide

C16H15ClN2OS — CID 20877191

IUPAC2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)Nc2ccccc2C)cc2sc(Cl)cc21
InChIInChI=1S/C16H15ClN2OS/c1-3-19-12-9-15(17)21-14(12)8-13(19)16(20)18-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyNZGASCIGLPIWLY-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.94
Rot. Bonds3

About 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide

2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 20877191) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID20877191
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)Nc2ccccc2C)cc2sc(Cl)cc21
InChIInChI=1S/C16H15ClN2OS/c1-3-19-12-9-15(17)21-14(12)8-13(19)16(20)18-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyNZGASCIGLPIWLY-UHFFFAOYSA-N
XLogP4.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-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

2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 20877188
2-chloro-4-ethyl-N-(1-methyl-4-oxoimidazolidin-2-ylidene)thieno[3,2-b]pyrrole-5-carboxamide
CID 137037933
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
1-chloro-N-(2-methylphenyl)isoquinoline-3-carboxamide
CID 43342754
N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225249
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94288949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 20877191) is 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is CCn1c(C(=O)Nc2ccccc2C)cc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NZGASCIGLPIWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-3-19-12-9-15(17)21-14(12)8-13(19)16(20)18-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 318.83 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 20877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).