N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

C17H17N5O4S — CID 6484449

IUPACN-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C17H17N5O4S/c1-26-14-5-3-4-13(10-14)18-16(23)11-22-20-17(19-21-22)12-6-8-15(9-7-12)27(2,24)25/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyKSGLBYSHZHSBCU-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.39
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (PubChem CID 6484449) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
PubChem CID6484449
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C17H17N5O4S/c1-26-14-5-3-4-13(10-14)18-16(23)11-22-20-17(19-21-22)12-6-8-15(9-7-12)27(2,24)25/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyKSGLBYSHZHSBCU-UHFFFAOYSA-N
XLogP1.39
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate
CID 859178
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 23941582
[2-(3-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670914
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (CID 6484449) is N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is COc1cccc(NC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is KSGLBYSHZHSBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-26-14-5-3-4-13(10-14)18-16(23)11-22-20-17(19-21-22)12-6-8-15(9-7-12)27(2,24)25/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 6484449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).