5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide

C12H18BrNO2S — CID 79929205

IUPAC5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C(C)COC
InChIInChI=1S/C12H18BrNO2S/c1-5-14(9(3)7-16-4)12(15)10-6-8(2)11(13)17-10/h6,9H,5,7H2,1-4H3
InChIKeyIVGWGCFUQBBPIY-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.32
Rot. Bonds5

About 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79929205) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID79929205
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C(C)COC
InChIInChI=1S/C12H18BrNO2S/c1-5-14(9(3)7-16-4)12(15)10-6-8(2)11(13)17-10/h6,9H,5,7H2,1-4H3
InChIKeyIVGWGCFUQBBPIY-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-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-Dibromothiophen-2-yl)-morpholin-4-ylmethanone
CID 24979897
(4,5-Dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161803
5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 51078105
(5-Methyl-3-thienyl)-4-morpholinylmethanone
CID 802791
4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 2225534
(2,5-Dimethylthiophen-3-yl)-morpholin-4-ylmethanone
CID 39969379
5-bromo-N-methyl-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]thiophene-2-carboxamide
CID 144434251
(5-Bromothiophen-2-yl)(morpholin-4-yl)methanone
CID 2971191
4,5-dibromo-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 56364613
5-bromo-N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 79916840
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 79918093
Methyl 3-[(5-bromo-4-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 79918485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide (CID 79929205) is 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(Br)s1)C(C)COC.
What is the InChIKey of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is IVGWGCFUQBBPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-5-14(9(3)7-16-4)12(15)10-6-8(2)11(13)17-10/h6,9H,5,7H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79929205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).