N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C15H16N6O3S2 — CID 55911543

IUPACN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCc1ccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)cc1-n1cnnn1
InChIInChI=1S/C15H16N6O3S2/c1-10-5-6-12(8-13(10)21-9-16-19-20-21)17-15(22)11(2)18-26(23,24)14-4-3-7-25-14/h3-9,11,18H,1-2H3,(H,17,22)
InChIKeyULCYBTQHPGQWKK-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.34
Rot. Bonds6

About N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55911543) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55911543
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCc1ccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)cc1-n1cnnn1
InChIInChI=1S/C15H16N6O3S2/c1-10-5-6-12(8-13(10)21-9-16-19-20-21)17-15(22)11(2)18-26(23,24)14-4-3-7-25-14/h3-9,11,18H,1-2H3,(H,17,22)
InChIKeyULCYBTQHPGQWKK-UHFFFAOYSA-N
XLogP1.34
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55911543) is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is Cc1ccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)cc1-n1cnnn1.
What is the InChIKey of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is ULCYBTQHPGQWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-10-5-6-12(8-13(10)21-9-16-19-20-21)17-15(22)11(2)18-26(23,24)14-4-3-7-25-14/h3-9,11,18H,1-2H3,(H,17,22).
What are the key properties of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 392.47 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55911543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).