N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C14H11ClN2OS — CID 3225249

IUPACN-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2Cl)cc2sccc21
InChIInChI=1S/C14H11ClN2OS/c1-17-11-6-7-19-13(11)8-12(17)14(18)16-10-5-3-2-4-9(10)15/h2-8H,1H3,(H,16,18)
InChIKeyXCRMEQGCLPAGKT-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.15
Rot. Bonds2

About N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225249) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225249
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC NameN-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2Cl)cc2sccc21
InChIInChI=1S/C14H11ClN2OS/c1-17-11-6-7-19-13(11)8-12(17)14(18)16-10-5-3-2-4-9(10)15/h2-8H,1H3,(H,16,18)
InChIKeyXCRMEQGCLPAGKT-UHFFFAOYSA-N
XLogP4.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225265
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 145027417
4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol
CID 145027446
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[3,4-diethyl-2-(4-hydroxyphenoxy)-5-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 118918377
N-(2-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734493
tert-butyl (3S)-3-[[4-[[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 118931276
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 71945899

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3225249) is N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2ccccc2Cl)cc2sccc21.
What is the InChIKey of N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XCRMEQGCLPAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-17-11-6-7-19-13(11)8-12(17)14(18)16-10-5-3-2-4-9(10)15/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 290.78 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).