4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

C18H25N3O2S — CID 42848686

IUPAC4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NCCN2CCOCC2)cc2sc(C)cc21
InChIInChI=1S/C18H25N3O2S/c1-3-4-6-21-15-12-14(2)24-17(15)13-16(21)18(22)19-5-7-20-8-10-23-11-9-20/h3-4,12-13H,5-11H2,1-2H3,(H,19,22)/b4-3+
InChIKeyHPUSHKSQJYKMPP-ONEGZZNKSA-N
MW347.48 g/mol
LogP2.65
Rot. Bonds6

About 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42848686) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42848686
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NCCN2CCOCC2)cc2sc(C)cc21
InChIInChI=1S/C18H25N3O2S/c1-3-4-6-21-15-12-14(2)24-17(15)13-16(21)18(22)19-5-7-20-8-10-23-11-9-20/h3-4,12-13H,5-11H2,1-2H3,(H,19,22)/b4-3+
InChIKeyHPUSHKSQJYKMPP-ONEGZZNKSA-N
XLogP2.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.65
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

2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848667
4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156325
4-[(E)-but-2-enyl]-N-[2-(dimethylamino)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848688
4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42656504
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
2-bromo-4-[(E)-but-2-enyl]-N-(cyclopropylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040037
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-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide
CID 42789533

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 42848686) is 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is C/C=C/Cn1c(C(=O)NCCN2CCOCC2)cc2sc(C)cc21.
What is the InChIKey of 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HPUSHKSQJYKMPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-4-6-21-15-12-14(2)24-17(15)13-16(21)18(22)19-5-7-20-8-10-23-11-9-20/h3-4,12-13H,5-11H2,1-2H3,(H,19,22)/b4-3+.
What are the key properties of 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-2-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42848686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).