2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide

C17H17ClN2OS — CID 20877188

IUPAC2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)Nc2cccc(C)c2C)cc2sc(Cl)cc21
InChIInChI=1S/C17H17ClN2OS/c1-4-20-13-9-16(18)22-15(13)8-14(20)17(21)19-12-7-5-6-10(2)11(12)3/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyPNBBGLKZSITEBX-UHFFFAOYSA-N
MW332.86 g/mol
LogP5.25
Rot. Bonds3

About 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide

2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 20877188) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID20877188
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)Nc2cccc(C)c2C)cc2sc(Cl)cc21
InChIInChI=1S/C17H17ClN2OS/c1-4-20-13-9-16(18)22-15(13)8-14(20)17(21)19-12-7-5-6-10(2)11(12)3/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyPNBBGLKZSITEBX-UHFFFAOYSA-N
XLogP5.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.86
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877191
2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 20877200
2-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 20877211
N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361339
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
2-chloro-4-ethyl-N-(1-methyl-4-oxoimidazolidin-2-ylidene)thieno[3,2-b]pyrrole-5-carboxamide
CID 137037933
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide (CID 20877188) is 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide is CCn1c(C(=O)Nc2cccc(C)c2C)cc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PNBBGLKZSITEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-4-20-13-9-16(18)22-15(13)8-14(20)17(21)19-12-7-5-6-10(2)11(12)3/h5-9H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide?
2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 332.86 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 20877188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).