N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C19H21N5OS — CID 982894

IUPACN-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C19H21N5OS/c1-19(2,3)14-9-11-15(12-10-14)20-17(25)13-26-18-21-22-23-24(18)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyQIQSERXDLVCOAD-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.69
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 982894) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID982894
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C19H21N5OS/c1-19(2,3)14-9-11-15(12-10-14)20-17(25)13-26-18-21-22-23-24(18)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyQIQSERXDLVCOAD-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3912516
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1323060
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 982894) is N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CC(C)(C)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is QIQSERXDLVCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-19(2,3)14-9-11-15(12-10-14)20-17(25)13-26-18-21-22-23-24(18)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,20,25).
What are the key properties of N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 367.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 982894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).