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

C12H18N2O3S3 — CID 80595560

IUPACN-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCCS2)s1
InChIInChI=1S/C12H18N2O3S3/c13-20(16,17)11-5-4-9(19-11)6-7-14-12(15)10-3-1-2-8-18-10/h4-5,10H,1-3,6-8H2,(H,14,15)(H2,13,16,17)
InChIKeyGRRBRTQYIKNBDZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP1.34
Rot. Bonds5

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

N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide (PubChem CID 80595560) has the molecular formula C12H18N2O3S3 and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
PubChem CID80595560
Molecular FormulaC12H18N2O3S3
Molecular Weight334.49 g/mol
Exact Mass334.05
IUPAC NameN-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCCS2)s1
InChIInChI=1S/C12H18N2O3S3/c13-20(16,17)11-5-4-9(19-11)6-7-14-12(15)10-3-1-2-8-18-10/h4-5,10H,1-3,6-8H2,(H,14,15)(H2,13,16,17)
InChIKeyGRRBRTQYIKNBDZ-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

2-cyclohexyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43246450
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 80596435
2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
CID 81450580
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
CID 47120984
5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 64554947
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide?
The IUPAC name of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide (CID 80595560) is N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide.
What is the SMILES notation for N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide?
The canonical SMILES for N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCS2)s1.
What is the InChIKey of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide?
The InChIKey is GRRBRTQYIKNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S3/c13-20(16,17)11-5-4-9(19-11)6-7-14-12(15)10-3-1-2-8-18-10/h4-5,10H,1-3,6-8H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide?
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-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 N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide is sourced from PubChem (CID 80595560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).