4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

C13H17Br2NO2S — CID 112729543

IUPAC4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cc(Br)c(Br)s1)C(C)C1CC1
InChIInChI=1S/C13H17Br2NO2S/c1-8(9-3-4-9)16(5-6-18-2)13(17)11-7-10(14)12(15)19-11/h7-9H,3-6H2,1-2H3
InChIKeyHQRZGIMVUXWIKN-UHFFFAOYSA-N
MW411.16 g/mol
LogP4.16
Rot. Bonds6

About 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide

4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 112729543) has the molecular formula C13H17Br2NO2S and a molecular weight of 411.16 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID112729543
Molecular FormulaC13H17Br2NO2S
Molecular Weight411.16 g/mol
Exact Mass408.93
IUPAC Name4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cc(Br)c(Br)s1)C(C)C1CC1
InChIInChI=1S/C13H17Br2NO2S/c1-8(9-3-4-9)16(5-6-18-2)13(17)11-7-10(14)12(15)19-11/h7-9H,3-6H2,1-2H3
InChIKeyHQRZGIMVUXWIKN-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 62816823
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 60793269
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 61108907

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 112729543) is 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(C(=O)c1cc(Br)c(Br)s1)C(C)C1CC1.
What is the InChIKey of 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is HQRZGIMVUXWIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2S/c1-8(9-3-4-9)16(5-6-18-2)13(17)11-7-10(14)12(15)19-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 411.16 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 112729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).