ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

C9H13NO4S2 — CID 55028782

IUPACethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO4S2/c1-3-14-8(11)7-10(2)16(12,13)9-5-4-6-15-9/h4-6H,3,7H2,1-2H3
InChIKeyGXTNPLBGPKYEGD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds5

About ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (PubChem CID 55028782) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
PubChem CID55028782
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Nameethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO4S2/c1-3-14-8(11)7-10(2)16(12,13)9-5-4-6-15-9/h4-6H,3,7H2,1-2H3
InChIKeyGXTNPLBGPKYEGD-UHFFFAOYSA-N
XLogP0.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975
naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560682
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (CID 55028782) is ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is CCOC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The InChIKey is GXTNPLBGPKYEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-3-14-8(11)7-10(2)16(12,13)9-5-4-6-15-9/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate has a molecular weight of 263.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 55028782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).