2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid

C13H15NO4S3 — CID 79488468

IUPAC2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CCc1cccs1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H15NO4S3/c1-14(7-6-10-3-2-8-19-10)21(17,18)13-5-4-11(20-13)9-12(15)16/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyPVBNHWDNJRBTOL-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.30
Rot. Bonds7

About 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 79488468) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID79488468
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC Name2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CCc1cccs1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H15NO4S3/c1-14(7-6-10-3-2-8-19-10)21(17,18)13-5-4-11(20-13)9-12(15)16/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyPVBNHWDNJRBTOL-UHFFFAOYSA-N
XLogP2.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104654990
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899
2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221699
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 45299021
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 102991763
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602

Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 79488468) is 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid is CN(CCc1cccs1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is PVBNHWDNJRBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-14(7-6-10-3-2-8-19-10)21(17,18)13-5-4-11(20-13)9-12(15)16/h2-5,8H,6-7,9H2,1H3,(H,15,16).
What are the key properties of 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 345.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 79488468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).