2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide

C12H18N2O3S3 — CID 81450580

IUPAC2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
SMILESCC1(C(=O)NCCc2ccc(S(N)(=O)=O)s2)CCCS1
InChIInChI=1S/C12H18N2O3S3/c1-12(6-2-8-18-12)11(15)14-7-5-9-3-4-10(19-9)20(13,16)17/h3-4H,2,5-8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyXODRJXLAUGTDFV-UHFFFAOYSA-N
MW334.49 g/mol
LogP1.34
Rot. Bonds5

About 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide

2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide (PubChem CID 81450580) has the molecular formula C12H18N2O3S3 and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
PubChem CID81450580
Molecular FormulaC12H18N2O3S3
Molecular Weight334.49 g/mol
Exact Mass334.05
IUPAC Name2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
SMILESCC1(C(=O)NCCc2ccc(S(N)(=O)=O)s2)CCCS1
InChIInChI=1S/C12H18N2O3S3/c1-12(6-2-8-18-12)11(15)14-7-5-9-3-4-10(19-9)20(13,16)17/h3-4H,2,5-8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyXODRJXLAUGTDFV-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
N-(2-aminoethyl)-2-methylthiolane-2-carboxamide
CID 81450452
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
CID 80595560
2-cyclohexyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43246450
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119319144
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide (CID 81450580) is 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide is CC1(C(=O)NCCc2ccc(S(N)(=O)=O)s2)CCCS1.
What is the InChIKey of 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide?
The InChIKey is XODRJXLAUGTDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S3/c1-12(6-2-8-18-12)11(15)14-7-5-9-3-4-10(19-9)20(13,16)17/h3-4H,2,5-8H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide?
2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide is sourced from PubChem (CID 81450580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).