N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C16H15N5OS — CID 4560201

IUPACN-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H15N5OS/c22-15(17-13-7-3-1-4-8-13)11-12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22)
InChIKeyRIWYDGVWQRAOHG-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.78
Rot. Bonds6

About N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4560201) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4560201
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H15N5OS/c22-15(17-13-7-3-1-4-8-13)11-12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22)
InChIKeyRIWYDGVWQRAOHG-UHFFFAOYSA-N
XLogP2.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 4560201) is N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is O=C(CCSc1nnnn1-c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is RIWYDGVWQRAOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(17-13-7-3-1-4-8-13)11-12-23-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22).
What are the key properties of N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 325.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4560201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).