2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C16H14Cl2N2O3S — CID 10156899

IUPAC2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C16H14Cl2N2O3S/c1-22-10-4-2-3-5-11(10)23-7-6-19-16(21)9-8-12-14(20-9)13(17)15(18)24-12/h2-5,8,20H,6-7H2,1H3,(H,19,21)
InChIKeyXFLCWYZWMFDJCE-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.35
Rot. Bonds6

About 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 10156899) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID10156899
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C16H14Cl2N2O3S/c1-22-10-4-2-3-5-11(10)23-7-6-19-16(21)9-8-12-14(20-9)13(17)15(18)24-12/h2-5,8,20H,6-7H2,1H3,(H,19,21)
InChIKeyXFLCWYZWMFDJCE-UHFFFAOYSA-N
XLogP4.35
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 43009457
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CID 2520945
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 27894835
2-(methanesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 38573387
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 143271486
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 43009505

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 10156899) is 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is COc1ccccc1OCCNC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XFLCWYZWMFDJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-22-10-4-2-3-5-11(10)23-7-6-19-16(21)9-8-12-14(20-9)13(17)15(18)24-12/h2-5,8,20H,6-7H2,1H3,(H,19,21).
What are the key properties of 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10156899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).