N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide

C13H17N5OS — CID 576255

IUPACN-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nnn(-c2ccccc2)n1
InChIInChI=1S/C13H17N5OS/c1-13(2,3)14-11(19)9-20-12-15-17-18(16-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,19)
InChIKeyLCSMPCHGZOSRAV-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.67
Rot. Bonds4

About N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide

N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 576255) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID576255
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nnn(-c2ccccc2)n1
InChIInChI=1S/C13H17N5OS/c1-13(2,3)14-11(19)9-20-12-15-17-18(16-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,19)
InChIKeyLCSMPCHGZOSRAV-UHFFFAOYSA-N
XLogP1.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis[(2-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 57080774
N-tert-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587154
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
5-octylsulfanyl-2-phenyltetrazole
CID 169445007
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
1-[2,4,6-trimethyl-3-[(2-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone
CID 1269500
N-tert-butyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17445320
N-tert-butyl-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2479478
N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17492618
N-tert-butyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1154390
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide
CID 4142215

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide (CID 576255) is N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide is CC(C)(C)NC(=O)CSc1nnn(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LCSMPCHGZOSRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-13(2,3)14-11(19)9-20-12-15-17-18(16-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,19).
What are the key properties of N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide?
N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 576255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).