[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate

C15H15ClN2O5S2 — CID 31729782

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
SMILESCN(Cc1cccs1)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C15H15ClN2O5S2/c1-18(8-10-3-2-6-24-10)14(19)9-23-15(20)12-7-11(25(17,21)22)4-5-13(12)16/h2-7H,8-9H2,1H3,(H2,17,21,22)
InChIKeyISVMLZHEVRKDDK-UHFFFAOYSA-N
MW402.88 g/mol
LogP1.86
Rot. Bonds6

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate (PubChem CID 31729782) has the molecular formula C15H15ClN2O5S2 and a molecular weight of 402.88 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
PubChem CID31729782
Molecular FormulaC15H15ClN2O5S2
Molecular Weight402.88 g/mol
Exact Mass402.01
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
SMILESCN(Cc1cccs1)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C15H15ClN2O5S2/c1-18(8-10-3-2-6-24-10)14(19)9-23-15(20)12-7-11(25(17,21)22)4-5-13(12)16/h2-7H,8-9H2,1H3,(H2,17,21,22)
InChIKeyISVMLZHEVRKDDK-UHFFFAOYSA-N
XLogP1.86
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 55308044
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 8942761
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
(2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524418
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577371
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 42318884
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 2693479
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563364
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003252
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 46545459

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate (CID 31729782) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate is CN(Cc1cccs1)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
The InChIKey is ISVMLZHEVRKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S2/c1-18(8-10-3-2-6-24-10)14(19)9-23-15(20)12-7-11(25(17,21)22)4-5-13(12)16/h2-7H,8-9H2,1H3,(H2,17,21,22).
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate has a molecular weight of 402.88 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate is sourced from PubChem (CID 31729782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).