N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C18H20N6O4S2 — CID 4211873

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C18H20N6O4S2/c1-12-4-9-15(30(27,28)23(2)3)10-16(12)19-17(26)11-29-18-20-21-22-24(18)13-5-7-14(25)8-6-13/h4-10,25H,11H2,1-3H3,(H,19,26)
InChIKeyCJIYRMBEBOJUNV-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.66
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4211873) has the molecular formula C18H20N6O4S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4211873
Molecular FormulaC18H20N6O4S2
Molecular Weight448.53 g/mol
Exact Mass448.10
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C18H20N6O4S2/c1-12-4-9-15(30(27,28)23(2)3)10-16(12)19-17(26)11-29-18-20-21-22-24(18)13-5-7-14(25)8-6-13/h4-10,25H,11H2,1-3H3,(H,19,26)
InChIKeyCJIYRMBEBOJUNV-UHFFFAOYSA-N
XLogP1.66
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4216270
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
CID 24819888
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4841413
N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2448996
N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2557351
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7474139
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7474142
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7474143
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7474144
N-[(4-fluorophenyl)methyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8177260
N-(2-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8177300
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8177406

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 4211873) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is CJIYRMBEBOJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S2/c1-12-4-9-15(30(27,28)23(2)3)10-16(12)19-17(26)11-29-18-20-21-22-24(18)13-5-7-14(25)8-6-13/h4-10,25H,11H2,1-3H3,(H,19,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 448.53 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4211873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).