3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide

C15H16N2O4S — CID 90594679

IUPAC3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C15H16N2O4S/c18-15(16-12-5-2-1-3-6-12)17-9-14(10-17)22(19,20)11-13-7-4-8-21-13/h1-8,14H,9-11H2,(H,16,18)
InChIKeyDZROFOJAMJDKAR-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.11
Rot. Bonds4

About 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide

3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide (PubChem CID 90594679) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
PubChem CID90594679
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C15H16N2O4S/c18-15(16-12-5-2-1-3-6-12)17-9-14(10-17)22(19,20)11-13-7-4-8-21-13/h1-8,14H,9-11H2,(H,16,18)
InChIKeyDZROFOJAMJDKAR-UHFFFAOYSA-N
XLogP2.11
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594701
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
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
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
[(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
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 90594579
(E)-3-(4-chlorophenyl)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594584

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide (CID 90594679) is 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide is O=C(Nc1ccccc1)N1CC(S(=O)(=O)Cc2ccco2)C1.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide?
The InChIKey is DZROFOJAMJDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-15(16-12-5-2-1-3-6-12)17-9-14(10-17)22(19,20)11-13-7-4-8-21-13/h1-8,14H,9-11H2,(H,16,18).
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide?
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide is sourced from PubChem (CID 90594679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).