2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

C18H17BrN2O2S — CID 46040159

IUPAC2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCNC(=O)c1cc2sc(Br)cc2n1CCOc1ccccc1
InChIInChI=1S/C18H17BrN2O2S/c1-2-8-20-18(22)15-11-16-14(12-17(19)24-16)21(15)9-10-23-13-6-4-3-5-7-13/h2-7,11-12H,1,8-10H2,(H,20,22)
InChIKeyYNYXUPHAXTYREB-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.46
Rot. Bonds7

About 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46040159) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46040159
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCNC(=O)c1cc2sc(Br)cc2n1CCOc1ccccc1
InChIInChI=1S/C18H17BrN2O2S/c1-2-8-20-18(22)15-11-16-14(12-17(19)24-16)21(15)9-10-23-13-6-4-3-5-7-13/h2-7,11-12H,1,8-10H2,(H,20,22)
InChIKeyYNYXUPHAXTYREB-UHFFFAOYSA-N
XLogP4.46
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dibenzyl-2-bromothieno[3,2-b]pyrrole-5-carboxamide
CID 46039899
N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039232
4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848744
3-bromo-4-(2-phenoxyethoxy)-N-prop-2-enylbenzamide
CID 54793549
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
N-benzyl-2-bromo-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83289653
N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039236
2-bromo-4-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848786
1-phenoxy-3-prop-2-enylurea
CID 119090624
2-bromo-4-[(E)-but-2-enyl]-N-(cyclopropylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040037
N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
CID 112990545
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (CID 46040159) is 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is C=CCNC(=O)c1cc2sc(Br)cc2n1CCOc1ccccc1.
What is the InChIKey of 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YNYXUPHAXTYREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c1-2-8-20-18(22)15-11-16-14(12-17(19)24-16)21(15)9-10-23-13-6-4-3-5-7-13/h2-7,11-12H,1,8-10H2,(H,20,22).
What are the key properties of 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 405.32 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46040159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).