N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide

C17H17ClN6OS — CID 2810262

IUPACN-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCN(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN6OS/c1-23(2)12-7-9-13(10-8-12)24-17(20-21-22-24)26-11-16(25)19-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyIHAHSEJRLRUHOC-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.11
Rot. Bonds6

About N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 2810262) has the molecular formula C17H17ClN6OS and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID2810262
Molecular FormulaC17H17ClN6OS
Molecular Weight388.88 g/mol
Exact Mass388.09
IUPAC NameN-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCN(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN6OS/c1-23(2)12-7-9-13(10-8-12)24-17(20-21-22-24)26-11-16(25)19-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyIHAHSEJRLRUHOC-UHFFFAOYSA-N
XLogP3.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 2810262) is N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide is CN(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is IHAHSEJRLRUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6OS/c1-23(2)12-7-9-13(10-8-12)24-17(20-21-22-24)26-11-16(25)19-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,25).
What are the key properties of N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 388.88 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2810262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).