N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide

C17H20N2O4S — CID 90594701

IUPACN-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1C
InChIInChI=1S/C17H20N2O4S/c1-12-5-6-14(8-13(12)2)18-17(20)19-9-16(10-19)24(21,22)11-15-4-3-7-23-15/h3-8,16H,9-11H2,1-2H3,(H,18,20)
InChIKeyXYUNTZUCLCXIJK-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.73
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide

N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide (PubChem CID 90594701) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
PubChem CID90594701
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1C
InChIInChI=1S/C17H20N2O4S/c1-12-5-6-14(8-13(12)2)18-17(20)19-9-16(10-19)24(21,22)11-15-4-3-7-23-15/h3-8,16H,9-11H2,1-2H3,(H,18,20)
InChIKeyXYUNTZUCLCXIJK-UHFFFAOYSA-N
XLogP2.73
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide 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

3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
CID 71809402
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide (CID 90594701) is N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
The InChIKey is XYUNTZUCLCXIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-5-6-14(8-13(12)2)18-17(20)19-9-16(10-19)24(21,22)11-15-4-3-7-23-15/h3-8,16H,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide is sourced from PubChem (CID 90594701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).