2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

C17H23N3O2S — CID 42848667

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCCN2CCOCC2)cc2sc(C)cc21
InChIInChI=1S/C17H23N3O2S/c1-3-5-20-14-11-13(2)23-16(14)12-15(20)17(21)18-4-6-19-7-9-22-10-8-19/h3,11-12H,1,4-10H2,2H3,(H,18,21)
InChIKeyUEKIGTMQCNSMCL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.26
Rot. Bonds6

About 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42848667) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42848667
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCCN2CCOCC2)cc2sc(C)cc21
InChIInChI=1S/C17H23N3O2S/c1-3-5-20-14-11-13(2)23-16(14)12-15(20)17(21)18-4-6-19-7-9-22-10-8-19/h3,11-12H,1,4-10H2,2H3,(H,18,21)
InChIKeyUEKIGTMQCNSMCL-UHFFFAOYSA-N
XLogP2.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848686
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide
CID 42789533
4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156325
2-methyl-4-prop-2-enyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848666
2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959024
2-bromo-4-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039956
4-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3242210
4-[(E)-but-2-enyl]-N-[2-(dimethylamino)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848688
2-methyl-4-(1-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46052846
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42656504
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (CID 42848667) is 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)NCCN2CCOCC2)cc2sc(C)cc21.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UEKIGTMQCNSMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-5-20-14-11-13(2)23-16(14)12-15(20)17(21)18-4-6-19-7-9-22-10-8-19/h3,11-12H,1,4-10H2,2H3,(H,18,21).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42848667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).