N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide

C22H23NO4S — CID 102368807

IUPACN-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide
SMILESC/C=C(/C1=CCCC1=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H23NO4S/c1-3-21(20-10-7-11-22(20)24)23(16-17-8-5-4-6-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-6,8-10,12-15H,7,11,16H2,1-2H3/b21-3-
InChIKeyKCVGHAYCIDAADL-OSSHXBFKSA-N
MW397.50 g/mol
LogP4.08
Rot. Bonds7

About N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide

N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide (PubChem CID 102368807) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide
PubChem CID102368807
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide
SMILESC/C=C(/C1=CCCC1=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H23NO4S/c1-3-21(20-10-7-11-22(20)24)23(16-17-8-5-4-6-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-6,8-10,12-15H,7,11,16H2,1-2H3/b21-3-
InChIKeyKCVGHAYCIDAADL-OSSHXBFKSA-N
XLogP4.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide
CID 10861853
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N-benzyl-N-[(2-ethanethioylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 22711767
cis-(1S,2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid;hydroxylamine
CID 70098521
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide (CID 102368807) is N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide is C/C=C(/C1=CCCC1=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide?
The InChIKey is KCVGHAYCIDAADL-OSSHXBFKSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-3-21(20-10-7-11-22(20)24)23(16-17-8-5-4-6-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-6,8-10,12-15H,7,11,16H2,1-2H3/b21-3-.
What are the key properties of N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide?
N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 102368807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).