N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide

C14H19N3O5S — CID 90513267

IUPACN-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N3O5S/c1-9(18)15-11-4-5-13(22-2)12(6-11)16-14(19)10-7-17(8-10)23(3,20)21/h4-6,10H,7-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyACFCLXSQRAJIPO-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.48
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513267) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513267
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N3O5S/c1-9(18)15-11-4-5-13(22-2)12(6-11)16-14(19)10-7-17(8-10)23(3,20)21/h4-6,10H,7-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyACFCLXSQRAJIPO-UHFFFAOYSA-N
XLogP0.48
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947127
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
N-(5-acetamido-2-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824915
N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572537

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513267) is N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is ACFCLXSQRAJIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-9(18)15-11-4-5-13(22-2)12(6-11)16-14(19)10-7-17(8-10)23(3,20)21/h4-6,10H,7-8H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).