N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

C13H16N6O3S — CID 4579692

IUPACN-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCOc1ccccc1-n1nnnc1SC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H16N6O3S/c1-3-22-10-7-5-4-6-9(10)19-13(16-17-18-19)23-8(2)11(20)15-12(14)21/h4-8H,3H2,1-2H3,(H3,14,15,20,21)
InChIKeyXIKIMTPWAVYZGE-UHFFFAOYSA-N
MW336.38 g/mol
LogP0.74
Rot. Bonds6

About N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 4579692) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID4579692
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC NameN-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCOc1ccccc1-n1nnnc1SC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H16N6O3S/c1-3-22-10-7-5-4-6-9(10)19-13(16-17-18-19)23-8(2)11(20)15-12(14)21/h4-8H,3H2,1-2H3,(H3,14,15,20,21)
InChIKeyXIKIMTPWAVYZGE-UHFFFAOYSA-N
XLogP0.74
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 4579692) is N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is CCOc1ccccc1-n1nnnc1SC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is XIKIMTPWAVYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c1-3-22-10-7-5-4-6-9(10)19-13(16-17-18-19)23-8(2)11(20)15-12(14)21/h4-8H,3H2,1-2H3,(H3,14,15,20,21).
What are the key properties of N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 336.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 4579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).