methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate

C13H15Br2NO3S — CID 103769492

IUPACmethyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(Br)sc1Br)C1CCCC1
InChIInChI=1S/C13H15Br2NO3S/c1-19-11(17)7-16(8-4-2-3-5-8)13(18)9-6-10(14)20-12(9)15/h6,8H,2-5,7H2,1H3
InChIKeyGWGFABNWUZQOGM-UHFFFAOYSA-N
MW425.14 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate

methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate (PubChem CID 103769492) has the molecular formula C13H15Br2NO3S and a molecular weight of 425.14 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
PubChem CID103769492
Molecular FormulaC13H15Br2NO3S
Molecular Weight425.14 g/mol
Exact Mass422.91
IUPAC Namemethyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(Br)sc1Br)C1CCCC1
InChIInChI=1S/C13H15Br2NO3S/c1-19-11(17)7-16(8-4-2-3-5-8)13(18)9-6-10(14)20-12(9)15/h6,8H,2-5,7H2,1H3
InChIKeyGWGFABNWUZQOGM-UHFFFAOYSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.14
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[(2,5-dibromothiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 107962195
2-[(2,5-Dibromothiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114019654
Methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate
CID 71849310
Methyl 2-[(2-bromothiophene-3-carbonyl)amino]acetate
CID 19427352
methyl (2S)-2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoate
CID 37150951
Methyl 2-[(5-bromothiophene-3-carbonyl)amino]acetate
CID 37952256
2-[(5-Bromothiophene-3-carbonyl)-methylamino]acetic acid
CID 43356273
Methyl 2-[(5-bromothiophene-3-carbonyl)-methylamino]acetate
CID 43423648
Methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoate
CID 43423831
Methyl 1-(5-bromothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423847
5-bromo-N-cyclopentyl-N-methylthiophene-3-carboxamide
CID 43424607
5-bromo-N-cyclopentyl-N-ethylthiophene-3-carboxamide
CID 43424629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate (CID 103769492) is methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1cc(Br)sc1Br)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate?
The InChIKey is GWGFABNWUZQOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO3S/c1-19-11(17)7-16(8-4-2-3-5-8)13(18)9-6-10(14)20-12(9)15/h6,8H,2-5,7H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate?
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate has a molecular weight of 425.14 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 103769492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).