methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate

C17H22N2O5S3 — CID 123944012

IUPACmethyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate
SMILESCOC(=O)CN(CCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)C(C)=O
InChIInChI=1S/C17H22N2O5S3/c1-14(20)18(13-17(21)24-2)7-10-27(22,23)19(11-15-5-3-8-25-15)12-16-6-4-9-26-16/h3-6,8-9H,7,10-13H2,1-2H3
InChIKeyZAVAXPVEHVBPPB-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.16
Rot. Bonds10

About methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate

methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate (PubChem CID 123944012) has the molecular formula C17H22N2O5S3 and a molecular weight of 430.57 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate
PubChem CID123944012
Molecular FormulaC17H22N2O5S3
Molecular Weight430.57 g/mol
Exact Mass430.07
IUPAC Namemethyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate
SMILESCOC(=O)CN(CCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)C(C)=O
InChIInChI=1S/C17H22N2O5S3/c1-14(20)18(13-17(21)24-2)7-10-27(22,23)19(11-15-5-3-8-25-15)12-16-6-4-9-26-16/h3-6,8-9H,7,10-13H2,1-2H3
InChIKeyZAVAXPVEHVBPPB-UHFFFAOYSA-N
XLogP2.16
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate?
The IUPAC name of methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate (CID 123944012) is methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate?
The canonical SMILES for methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate is COC(=O)CN(CCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate?
The InChIKey is ZAVAXPVEHVBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S3/c1-14(20)18(13-17(21)24-2)7-10-27(22,23)19(11-15-5-3-8-25-15)12-16-6-4-9-26-16/h3-6,8-9H,7,10-13H2,1-2H3.
What are the key properties of methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate?
methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate has a molecular weight of 430.57 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-[bis(thiophen-2-ylmethyl)sulfamoyl]ethyl]amino]acetate is sourced from PubChem (CID 123944012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).