N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C20H22F2N2O5S — CID 39123867

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-28-18-13-16(7-8-17(18)29-20(21)22)14-23-19(25)9-11-24-30(26,27)12-10-15-5-3-2-4-6-15/h2-8,10,12-13,20,24H,9,11,14H2,1H3,(H,23,25)/b12-10+
InChIKeyZIBUGTAUORLYSR-ZRDIBKRKSA-N
MW440.47 g/mol
LogP2.89
Rot. Bonds11

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 39123867) has the molecular formula C20H22F2N2O5S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID39123867
Molecular FormulaC20H22F2N2O5S
Molecular Weight440.47 g/mol
Exact Mass440.12
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-28-18-13-16(7-8-17(18)29-20(21)22)14-23-19(25)9-11-24-30(26,27)12-10-15-5-3-2-4-6-15/h2-8,10,12-13,20,24H,9,11,14H2,1H3,(H,23,25)/b12-10+
InChIKeyZIBUGTAUORLYSR-ZRDIBKRKSA-N
XLogP2.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27866075
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55713372
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 41498688
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 27676534
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 39123867) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is COc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is ZIBUGTAUORLYSR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H22F2N2O5S/c1-28-18-13-16(7-8-17(18)29-20(21)22)14-23-19(25)9-11-24-30(26,27)12-10-15-5-3-2-4-6-15/h2-8,10,12-13,20,24H,9,11,14H2,1H3,(H,23,25)/b12-10+.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 440.47 g/mol, XLogP of 2.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 39123867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).