2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide

C19H19N5OS — CID 46640476

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Sc1nnnn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N5OS/c25-18(20-16-11-12-16)17(15-9-5-2-6-10-15)26-19-21-22-23-24(19)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,25)
InChIKeySVRADGGLULVGHC-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.83
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide (PubChem CID 46640476) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
PubChem CID46640476
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Sc1nnnn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N5OS/c25-18(20-16-11-12-16)17(15-9-5-2-6-10-15)26-19-21-22-23-24(19)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,25)
InChIKeySVRADGGLULVGHC-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide (CID 46640476) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)C(Sc1nnnn1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The InChIKey is SVRADGGLULVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-18(20-16-11-12-16)17(15-9-5-2-6-10-15)26-19-21-22-23-24(19)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,25).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide has a molecular weight of 365.46 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 46640476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).