3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

C14H16N2O3S2 — CID 51146589

IUPAC3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16N2O3S2/c1-9-7-8-20-13(9)14(17)16-10(2)11-3-5-12(6-4-11)21(15,18)19/h3-8,10H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyDIBNSBBNFJYENQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds4

About 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 51146589) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID51146589
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16N2O3S2/c1-9-7-8-20-13(9)14(17)16-10(2)11-3-5-12(6-4-11)21(15,18)19/h3-8,10H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyDIBNSBBNFJYENQ-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methylthiophene-2-carboxylate
CID 9008710
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 843900
4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide
CID 79489950
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732641
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (CID 51146589) is 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is DIBNSBBNFJYENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-7-8-20-13(9)14(17)16-10(2)11-3-5-12(6-4-11)21(15,18)19/h3-8,10H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51146589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).