2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

C21H26N6O3S — CID 129054930

IUPAC2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cn2cnnn2)C(=O)Nc2ccc(S(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N6O3S/c1-30-17-9-5-15(6-10-17)20(24-19(28)13-27-14-22-25-26-27)21(29)23-16-7-11-18(12-8-16)31(2,3)4/h5-12,14,20H,13H2,1-4H3,(H,23,29)(H,24,28)
InChIKeyKNCVPUAADQBVFU-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.23
Rot. Bonds8

About 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (PubChem CID 129054930) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
PubChem CID129054930
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cn2cnnn2)C(=O)Nc2ccc(S(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N6O3S/c1-30-17-9-5-15(6-10-17)20(24-19(28)13-27-14-22-25-26-27)21(29)23-16-7-11-18(12-8-16)31(2,3)4/h5-12,14,20H,13H2,1-4H3,(H,23,29)(H,24,28)
InChIKeyKNCVPUAADQBVFU-UHFFFAOYSA-N
XLogP2.23
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]propanamide
CID 129055214
2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055226
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055040
2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055039
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 129055060
2-(1,2-diazabicyclo[2.1.0]pentan-2-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-2-methylpropanamide
CID 121321347
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[[2-(tetrazol-1-yl)acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(tetrazol-1-yl)acetyl]amino]hexanamide
CID 87971191
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
N-[3-cyano-4-(trimethyl-λ4-sulfanyl)phenyl]-2-(4-methoxyphenyl)-2-[[2-(4-oxo-1-pyridinyl)acetyl]amino]acetamide
CID 129055227
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (CID 129054930) is 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is COc1ccc(C(NC(=O)Cn2cnnn2)C(=O)Nc2ccc(S(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The InChIKey is KNCVPUAADQBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-30-17-9-5-15(6-10-17)20(24-19(28)13-27-14-22-25-26-27)21(29)23-16-7-11-18(12-8-16)31(2,3)4/h5-12,14,20H,13H2,1-4H3,(H,23,29)(H,24,28).
What are the key properties of 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide has a molecular weight of 442.55 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 129054930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).