N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide

C14H18N2O4S — CID 121164402

IUPACN-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C14H18N2O4S/c1-3-21(19,20)13-8-16(9-13)14(18)11-4-6-12(7-5-11)15-10(2)17/h4-7,13H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyRCNQYHUKNNGFCA-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.90
Rot. Bonds4

About N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide

N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide (PubChem CID 121164402) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide
PubChem CID121164402
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C14H18N2O4S/c1-3-21(19,20)13-8-16(9-13)14(18)11-4-6-12(7-5-11)15-10(2)17/h4-7,13H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyRCNQYHUKNNGFCA-UHFFFAOYSA-N
XLogP0.90
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
CID 116680919
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
(4-tert-butylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594279
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide (CID 121164402) is N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide is CCS(=O)(=O)C1CN(C(=O)c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide?
The InChIKey is RCNQYHUKNNGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-21(19,20)13-8-16(9-13)14(18)11-4-6-12(7-5-11)15-10(2)17/h4-7,13H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide?
N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethylsulfonylazetidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 121164402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).