2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide

C14H14N6O3S2 — CID 71792233

IUPAC2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)s1
InChIInChI=1S/C14H14N6O3S2/c1-2-11-7-8-12(24-11)25(22,23)18-9-3-5-10(6-4-9)20-17-14(13(15)21)16-19-20/h3-8,18H,2H2,1H3,(H2,15,21)
InChIKeyJFTOAQIWEQYTIL-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.19
Rot. Bonds6

About 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide

2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide (PubChem CID 71792233) has the molecular formula C14H14N6O3S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide
PubChem CID71792233
Molecular FormulaC14H14N6O3S2
Molecular Weight378.44 g/mol
Exact Mass378.06
IUPAC Name2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)s1
InChIInChI=1S/C14H14N6O3S2/c1-2-11-7-8-12(24-11)25(22,23)18-9-3-5-10(6-4-9)20-17-14(13(15)21)16-19-20/h3-8,18H,2H2,1H3,(H2,15,21)
InChIKeyJFTOAQIWEQYTIL-UHFFFAOYSA-N
XLogP1.19
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide?
The IUPAC name of 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide (CID 71792233) is 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide is CCc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)s1.
What is the InChIKey of 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide?
The InChIKey is JFTOAQIWEQYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S2/c1-2-11-7-8-12(24-11)25(22,23)18-9-3-5-10(6-4-9)20-17-14(13(15)21)16-19-20/h3-8,18H,2H2,1H3,(H2,15,21).
What are the key properties of 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide?
2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71792233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).