ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate

C12H16BrNO4S2 — CID 79930307

IUPACethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H16BrNO4S2/c1-3-18-10(15)7-14(9-4-5-9)20(16,17)11-6-8(2)12(13)19-11/h6,9H,3-5,7H2,1-2H3
InChIKeyAVOCSLSLVFXMEP-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.54
Rot. Bonds6

About ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate

ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate (PubChem CID 79930307) has the molecular formula C12H16BrNO4S2 and a molecular weight of 382.30 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
PubChem CID79930307
Molecular FormulaC12H16BrNO4S2
Molecular Weight382.30 g/mol
Exact Mass380.97
IUPAC Nameethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H16BrNO4S2/c1-3-18-10(15)7-14(9-4-5-9)20(16,17)11-6-8(2)12(13)19-11/h6,9H,3-5,7H2,1-2H3
InChIKeyAVOCSLSLVFXMEP-UHFFFAOYSA-N
XLogP2.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 79924452
ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
CID 114811557
ethyl 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 80578582
ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
CID 82842680
ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
CID 79589738
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate (CID 79930307) is ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate?
The InChIKey is AVOCSLSLVFXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4S2/c1-3-18-10(15)7-14(9-4-5-9)20(16,17)11-6-8(2)12(13)19-11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate?
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate has a molecular weight of 382.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate is sourced from PubChem (CID 79930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).