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

C17H17ClN2O2S — CID 20877200

IUPAC2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCc2cccc(OC)c2)cc2sc(Cl)cc21
InChIInChI=1S/C17H17ClN2O2S/c1-3-20-13-9-16(18)23-15(13)8-14(20)17(21)19-10-11-5-4-6-12(7-11)22-2/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyMVGSTVXYAROWHX-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.31
Rot. Bonds5

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

2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 20877200) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID20877200
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCc2cccc(OC)c2)cc2sc(Cl)cc21
InChIInChI=1S/C17H17ClN2O2S/c1-3-20-13-9-16(18)23-15(13)8-14(20)17(21)19-10-11-5-4-6-12(7-11)22-2/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyMVGSTVXYAROWHX-UHFFFAOYSA-N
XLogP4.31
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848710
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
2-bromo-4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42856692
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052185
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
N-[(3-methoxyphenyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616034
2-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 20877211
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 20877200) is 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is CCn1c(C(=O)NCc2cccc(OC)c2)cc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MVGSTVXYAROWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-3-20-13-9-16(18)23-15(13)8-14(20)17(21)19-10-11-5-4-6-12(7-11)22-2/h4-9H,3,10H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 20877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).