2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

C15H22N6OS — CID 51258408

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CSc2nnnn2C(C)(C)C)cc1
InChIInChI=1S/C15H22N6OS/c1-15(2,3)21-14(17-18-19-21)23-10-13(22)16-11-6-8-12(9-7-11)20(4)5/h6-9H,10H2,1-5H3,(H,16,22)
InChIKeyYHKBVXRQFPEZQL-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.22
Rot. Bonds5

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 51258408) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID51258408
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CSc2nnnn2C(C)(C)C)cc1
InChIInChI=1S/C15H22N6OS/c1-15(2,3)21-14(17-18-19-21)23-10-13(22)16-11-6-8-12(9-7-11)20(4)5/h6-9H,10H2,1-5H3,(H,16,22)
InChIKeyYHKBVXRQFPEZQL-UHFFFAOYSA-N
XLogP2.22
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1455250
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 27045873
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
butyl 4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 55441352
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 39757702
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]acetamide
CID 9379281
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
2-[[5-[4-(dimethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 17264813

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (CID 51258408) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CSc2nnnn2C(C)(C)C)cc1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is YHKBVXRQFPEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-15(2,3)21-14(17-18-19-21)23-10-13(22)16-11-6-8-12(9-7-11)20(4)5/h6-9H,10H2,1-5H3,(H,16,22).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 334.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 51258408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).