N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C24H32N2O5S — CID 55713372

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OCCC(C)C
InChIInChI=1S/C24H32N2O5S/c1-19(2)12-15-31-22-10-9-21(17-23(22)30-3)18-25-24(27)11-14-26-32(28,29)16-13-20-7-5-4-6-8-20/h4-10,13,16-17,19,26H,11-12,14-15,18H2,1-3H3,(H,25,27)/b16-13+
InChIKeyCAWCNPUXCGQVTC-DTQAZKPQSA-N
MW460.60 g/mol
LogP3.72
Rot. Bonds13

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 55713372) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID55713372
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OCCC(C)C
InChIInChI=1S/C24H32N2O5S/c1-19(2)12-15-31-22-10-9-21(17-23(22)30-3)18-25-24(27)11-14-26-32(28,29)16-13-20-7-5-4-6-8-20/h4-10,13,16-17,19,26H,11-12,14-15,18H2,1-3H3,(H,25,27)/b16-13+
InChIKeyCAWCNPUXCGQVTC-DTQAZKPQSA-N
XLogP3.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide with MolForge

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27866075
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
CID 8802776
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
2-amino-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120588377
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 55713372) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is COc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is CAWCNPUXCGQVTC-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-19(2)12-15-31-22-10-9-21(17-23(22)30-3)18-25-24(27)11-14-26-32(28,29)16-13-20-7-5-4-6-8-20/h4-10,13,16-17,19,26H,11-12,14-15,18H2,1-3H3,(H,25,27)/b16-13+.
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 460.60 g/mol, XLogP of 3.72, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55713372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).