2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide

C17H18N4O4S — CID 7701532

IUPAC2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COn1nnc2ccc(S(C)(=O)=O)cc21)c1ccccc1
InChIInChI=1S/C17H18N4O4S/c1-12(13-6-4-3-5-7-13)18-17(22)11-25-21-16-10-14(26(2,23)24)8-9-15(16)19-20-21/h3-10,12H,11H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyBQDPCEWGSOFHOA-LBPRGKRZSA-N
MW374.42 g/mol
LogP1.14
Rot. Bonds6

About 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide

2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 7701532) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
PubChem CID7701532
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COn1nnc2ccc(S(C)(=O)=O)cc21)c1ccccc1
InChIInChI=1S/C17H18N4O4S/c1-12(13-6-4-3-5-7-13)18-17(22)11-25-21-16-10-14(26(2,23)24)8-9-15(16)19-20-21/h3-10,12H,11H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyBQDPCEWGSOFHOA-LBPRGKRZSA-N
XLogP1.14
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7701541
2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 2682734
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
methyl 3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706238
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503150
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
1-[2-(2-methylphenoxy)ethoxy]-6-methylsulfonylbenzotriazole
CID 17404182
2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92871359

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide (CID 7701532) is 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)COn1nnc2ccc(S(C)(=O)=O)cc21)c1ccccc1.
What is the InChIKey of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is BQDPCEWGSOFHOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-12(13-6-4-3-5-7-13)18-17(22)11-25-21-16-10-14(26(2,23)24)8-9-15(16)19-20-21/h3-10,12H,11H2,1-2H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide?
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 7701532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).