methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate

C14H14N2O5S2 — CID 8840841

IUPACmethyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O5S2/c1-21-12(17)9-15-14(18)10-4-6-11(7-5-10)16-23(19,20)13-3-2-8-22-13/h2-8,16H,9H2,1H3,(H,15,18)
InChIKeyJYPJXMMWPAXHJI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.45
Rot. Bonds6

About methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate

methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate (PubChem CID 8840841) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
PubChem CID8840841
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Namemethyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O5S2/c1-21-12(17)9-15-14(18)10-4-6-11(7-5-10)16-23(19,20)13-3-2-8-22-13/h2-8,16H,9H2,1H3,(H,15,18)
InChIKeyJYPJXMMWPAXHJI-UHFFFAOYSA-N
XLogP1.45
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
CID 55659204
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46515976
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate (CID 8840841) is methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate?
The InChIKey is JYPJXMMWPAXHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-21-12(17)9-15-14(18)10-4-6-11(7-5-10)16-23(19,20)13-3-2-8-22-13/h2-8,16H,9H2,1H3,(H,15,18).
What are the key properties of methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate?
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate has a molecular weight of 354.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate is sourced from PubChem (CID 8840841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).