4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide

C14H14N6O3S2 — CID 127254518

IUPAC4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C14H14N6O3S2/c1-8-9(2)24-14(20-7-16-18-19-20)12(8)13(21)17-10-3-5-11(6-4-10)25(15,22)23/h3-7H,1-2H3,(H,17,21)(H2,15,22,23)
InChIKeyFMBZIPXGTSLGEM-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.24
Rot. Bonds4

About 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide

4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 127254518) has the molecular formula C14H14N6O3S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID127254518
Molecular FormulaC14H14N6O3S2
Molecular Weight378.44 g/mol
Exact Mass378.06
IUPAC Name4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C14H14N6O3S2/c1-8-9(2)24-14(20-7-16-18-19-20)12(8)13(21)17-10-3-5-11(6-4-10)25(15,22)23/h3-7H,1-2H3,(H,17,21)(H2,15,22,23)
InChIKeyFMBZIPXGTSLGEM-UHFFFAOYSA-N
XLogP1.24
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 127254518) is 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is FMBZIPXGTSLGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S2/c1-8-9(2)24-14(20-7-16-18-19-20)12(8)13(21)17-10-3-5-11(6-4-10)25(15,22)23/h3-7H,1-2H3,(H,17,21)(H2,15,22,23).
What are the key properties of 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 127254518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).