2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide

C17H18N6O4S — CID 131896194

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18N6O4S/c1-12-3-7-14(8-4-12)23(28(2,25)26)11-16(24)18-13-5-9-15(10-6-13)27-17-19-21-22-20-17/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyWWSIOCZVLSVZTA-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.71
Rot. Bonds7

About 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide

2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide (PubChem CID 131896194) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
PubChem CID131896194
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18N6O4S/c1-12-3-7-14(8-4-12)23(28(2,25)26)11-16(24)18-13-5-9-15(10-6-13)27-17-19-21-22-20-17/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyWWSIOCZVLSVZTA-UHFFFAOYSA-N
XLogP1.71
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
5-(4-methylphenoxy)-2H-tetrazole
CID 5152789
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
CID 169370934
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide (CID 131896194) is 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide is Cc1ccc(N(CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
The InChIKey is WWSIOCZVLSVZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-12-3-7-14(8-4-12)23(28(2,25)26)11-16(24)18-13-5-9-15(10-6-13)27-17-19-21-22-20-17/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide?
2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide has a molecular weight of 402.44 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide is sourced from PubChem (CID 131896194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).