N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide

C16H19N5O3S2 — CID 18565840

IUPACN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(CC)s2)cc1
InChIInChI=1S/C16H19N5O3S2/c1-3-14-9-10-16(25-14)26(22,23)17-11-15-18-19-20-21(15)12-5-7-13(8-6-12)24-4-2/h5-10,17H,3-4,11H2,1-2H3
InChIKeyYQYAKSVFXJFDIG-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.16
Rot. Bonds8

About N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide

N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 18565840) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID18565840
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC NameN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(CC)s2)cc1
InChIInChI=1S/C16H19N5O3S2/c1-3-14-9-10-16(25-14)26(22,23)17-11-15-18-19-20-21(15)12-5-7-13(8-6-12)24-4-2/h5-10,17H,3-4,11H2,1-2H3
InChIKeyYQYAKSVFXJFDIG-UHFFFAOYSA-N
XLogP2.16
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide (CID 18565840) is N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide is CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(CC)s2)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is YQYAKSVFXJFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c1-3-14-9-10-16(25-14)26(22,23)17-11-15-18-19-20-21(15)12-5-7-13(8-6-12)24-4-2/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide?
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 18565840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).