5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide

C14H16N2O3S2 — CID 1247099

IUPAC5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-10-8-12(9-20-10)14(17)16-7-6-11-2-4-13(5-3-11)21(15,18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyPVWJYZFRNPGICI-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.68
Rot. Bonds5

About 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 1247099) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID1247099
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-10-8-12(9-20-10)14(17)16-7-6-11-2-4-13(5-3-11)21(15,18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyPVWJYZFRNPGICI-UHFFFAOYSA-N
XLogP1.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide (CID 1247099) is 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is PVWJYZFRNPGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-8-12(9-20-10)14(17)16-7-6-11-2-4-13(5-3-11)21(15,18)19/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 1247099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).