methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate

C15H22BrNO3S — CID 79987712

IUPACmethyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C15H22BrNO3S/c1-5-11(6-2)8-17(9-13(18)20-4)15(19)12-7-10(3)14(16)21-12/h7,11H,5-6,8-9H2,1-4H3
InChIKeyBZWQFDHRNVMXBP-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.87
Rot. Bonds7

About methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate

methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate (PubChem CID 79987712) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
PubChem CID79987712
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Namemethyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C15H22BrNO3S/c1-5-11(6-2)8-17(9-13(18)20-4)15(19)12-7-10(3)14(16)21-12/h7,11H,5-6,8-9H2,1-4H3
InChIKeyBZWQFDHRNVMXBP-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate 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

methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
CID 63047684
5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79996781
5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 79929205
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482
N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
CID 79990343
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981900
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981541
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
CID 79929208
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
CID 79996289
methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 62232755
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-ethylbutyl)-4-methylthiophene-2-carboxamide
CID 79997871

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate?
The IUPAC name of methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate (CID 79987712) is methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate?
The InChIKey is BZWQFDHRNVMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-5-11(6-2)8-17(9-13(18)20-4)15(19)12-7-10(3)14(16)21-12/h7,11H,5-6,8-9H2,1-4H3.
What are the key properties of methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate?
methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate has a molecular weight of 376.32 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate is sourced from PubChem (CID 79987712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).