4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide

C15H18N2OS — CID 42656504

IUPAC4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NC2CC2)cc2sc(C)cc21
InChIInChI=1S/C15H18N2OS/c1-3-4-7-17-12-8-10(2)19-14(12)9-13(17)15(18)16-11-5-6-11/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,18)/b4-3+
InChIKeyLBBLYUCMNNCEJU-ONEGZZNKSA-N
MW274.39 g/mol
LogP3.48
Rot. Bonds4

About 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide

4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42656504) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42656504
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NC2CC2)cc2sc(C)cc21
InChIInChI=1S/C15H18N2OS/c1-3-4-7-17-12-8-10(2)19-14(12)9-13(17)15(18)16-11-5-6-11/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,18)/b4-3+
InChIKeyLBBLYUCMNNCEJU-ONEGZZNKSA-N
XLogP3.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 42656507
2-bromo-4-[(E)-but-2-enyl]-N-(cyclopropylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040037
2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848667
1-[4-(2-methyl-4-prop-2-enylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]ethanone
CID 46039399
4-[(E)-but-2-enyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324353
2-bromo-4-[(3-chlorophenyl)methyl]-N-cyclopropylthieno[3,2-b]pyrrole-5-carboxamide
CID 83289817
2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83289816
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
2-methyl-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]-4-(2,2,2-trifluoroethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 166270025
4-(cyclobutylmethyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039785
N-cyclopropyl-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038846
4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039675

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 42656504) is 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide is C/C=C/Cn1c(C(=O)NC2CC2)cc2sc(C)cc21.
What is the InChIKey of 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LBBLYUCMNNCEJU-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-4-7-17-12-8-10(2)19-14(12)9-13(17)15(18)16-11-5-6-11/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,18)/b4-3+.
What are the key properties of 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).