N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

C20H18N2O2S — CID 42797213

IUPACN-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCc1cccc(Cn2c(C(=O)NCc3ccco3)cc3ccsc32)c1
InChIInChI=1S/C20H18N2O2S/c1-14-4-2-5-15(10-14)13-22-18(11-16-7-9-25-20(16)22)19(23)21-12-17-6-3-8-24-17/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyDULQXVOSXAZWFV-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.58
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797213) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID42797213
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCc1cccc(Cn2c(C(=O)NCc3ccco3)cc3ccsc32)c1
InChIInChI=1S/C20H18N2O2S/c1-14-4-2-5-15(10-14)13-22-18(11-16-7-9-25-20(16)22)19(23)21-12-17-6-3-8-24-17/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyDULQXVOSXAZWFV-UHFFFAOYSA-N
XLogP4.58
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
6-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797139
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
CID 110850455
N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23881223
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762072
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272
2-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005862

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (CID 42797213) is N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is Cc1cccc(Cn2c(C(=O)NCc3ccco3)cc3ccsc32)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is DULQXVOSXAZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-4-2-5-15(10-14)13-22-18(11-16-7-9-25-20(16)22)19(23)21-12-17-6-3-8-24-17/h2-11H,12-13H2,1H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).