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

C14H15NO4S2 — CID 23851783

IUPACbenzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)OCc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-15(21(17,18)14-8-5-9-20-14)10-13(16)19-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChIKeyRGPHVBGVICGUMZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.11
Rot. Bonds6

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

benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (PubChem CID 23851783) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
PubChem CID23851783
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namebenzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)OCc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-15(21(17,18)14-8-5-9-20-14)10-13(16)19-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChIKeyRGPHVBGVICGUMZ-UHFFFAOYSA-N
XLogP2.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804745
naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560682
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 18117309
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The IUPAC name of benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (CID 23851783) is benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is CN(CC(=O)OCc1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The InChIKey is RGPHVBGVICGUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-15(21(17,18)14-8-5-9-20-14)10-13(16)19-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3.
What are the key properties of benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate has a molecular weight of 325.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 23851783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).