N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide

C20H22N6O3S — CID 31126878

IUPACN-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnnn1-c1cccc(C)c1
InChIInChI=1S/C20H22N6O3S/c1-13-5-4-6-15(9-13)26-20(23-24-25-26)30-12-19(28)21-11-18(27)22-16-10-14(2)7-8-17(16)29-3/h4-10H,11-12H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyBVJLWOVPYALLRV-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.13
Rot. Bonds8

About N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide (PubChem CID 31126878) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
PubChem CID31126878
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnnn1-c1cccc(C)c1
InChIInChI=1S/C20H22N6O3S/c1-13-5-4-6-15(9-13)26-20(23-24-25-26)30-12-19(28)21-11-18(27)22-16-10-14(2)7-8-17(16)29-3/h4-10H,11-12H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyBVJLWOVPYALLRV-UHFFFAOYSA-N
XLogP2.13
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide with MolForge

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Related Compounds

methyl 4-[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 1175411
N-(2,4-dimethoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648829
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1175592
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1175605
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616969
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 42067738
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 1075019
N-(2-methoxy-5-methylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36794853
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 9061759

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide (CID 31126878) is N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnnn1-c1cccc(C)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is BVJLWOVPYALLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-13-5-4-6-15(9-13)26-20(23-24-25-26)30-12-19(28)21-11-18(27)22-16-10-14(2)7-8-17(16)29-3/h4-10H,11-12H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 31126878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).