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

C21H18N2O2S — CID 1455010

IUPAC4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2S/c1-25-17-9-7-16(8-10-17)22-21(24)19-13-20-18(11-12-26-20)23(19)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,22,24)
InChIKeyNTQCYNYTIFHHMI-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.01
Rot. Bonds5

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

4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 1455010) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID1455010
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2S/c1-25-17-9-7-16(8-10-17)22-21(24)19-13-20-18(11-12-26-20)23(19)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,22,24)
InChIKeyNTQCYNYTIFHHMI-UHFFFAOYSA-N
XLogP5.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 1455010) is 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NTQCYNYTIFHHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-25-17-9-7-16(8-10-17)22-21(24)19-13-20-18(11-12-26-20)23(19)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 1455010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).