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

C21H18N2OS — CID 3225099

IUPAC4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2OS/c1-15-7-9-17(10-8-15)22-21(24)19-13-20-18(11-12-25-20)23(19)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)
InChIKeyXIVCEFCYYYKCGR-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.31
Rot. Bonds4

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

4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225099) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225099
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2OS/c1-15-7-9-17(10-8-15)22-21(24)19-13-20-18(11-12-25-20)23(19)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)
InChIKeyXIVCEFCYYYKCGR-UHFFFAOYSA-N
XLogP5.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
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
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 71945899

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225099) is 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is Cc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XIVCEFCYYYKCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-15-7-9-17(10-8-15)22-21(24)19-13-20-18(11-12-25-20)23(19)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).