4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide

C17H14N2OS — CID 89336756

IUPAC4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC#CCNC(=O)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H14N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h1,3-8,10-11H,9,12H2,(H,18,20)
InChIKeyIDWLZNANLHHUSO-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.11
Rot. Bonds4

About 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 89336756) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID89336756
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC#CCNC(=O)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H14N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h1,3-8,10-11H,9,12H2,(H,18,20)
InChIKeyIDWLZNANLHHUSO-UHFFFAOYSA-N
XLogP3.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
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-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
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
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide (CID 89336756) is 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide is C#CCNC(=O)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is IDWLZNANLHHUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h1,3-8,10-11H,9,12H2,(H,18,20).
What are the key properties of 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 89336756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).