N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C18H20N6O4S2 — CID 3340473

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H20N6O4S2/c1-23(2)30(26,27)16-10-4-13(5-11-16)19-17(25)12-29-18-20-21-22-24(18)14-6-8-15(28-3)9-7-14/h4-11H,12H2,1-3H3,(H,19,25)
InChIKeyDPSXESUMNXOJNV-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.65
Rot. Bonds8

About N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 3340473) has the molecular formula C18H20N6O4S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID3340473
Molecular FormulaC18H20N6O4S2
Molecular Weight448.53 g/mol
Exact Mass448.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H20N6O4S2/c1-23(2)30(26,27)16-10-4-13(5-11-16)19-17(25)12-29-18-20-21-22-24(18)14-6-8-15(28-3)9-7-14/h4-11H,12H2,1-3H3,(H,19,25)
InChIKeyDPSXESUMNXOJNV-UHFFFAOYSA-N
XLogP1.65
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4238077
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4814756
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
N-[4-[(2R)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1207643
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8805938
N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2109822
N-(3,4-dibromophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3938077
N-(3-chloro-4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2596083
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7459677
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 2982401
N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16538794

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 3340473) is N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is DPSXESUMNXOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S2/c1-23(2)30(26,27)16-10-4-13(5-11-16)19-17(25)12-29-18-20-21-22-24(18)14-6-8-15(28-3)9-7-14/h4-11H,12H2,1-3H3,(H,19,25).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 448.53 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 3340473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).