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

C26H28N2O5S — CID 27866075

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O5S/c1-32-25-18-23(12-13-24(25)33-20-22-10-6-3-7-11-22)19-27-26(29)14-16-28-34(30,31)17-15-21-8-4-2-5-9-21/h2-13,15,17-18,28H,14,16,19-20H2,1H3,(H,27,29)/b17-15+
InChIKeyIGRJQAWAAIMMKB-BMRADRMJSA-N
MW480.59 g/mol
LogP3.87
Rot. Bonds12

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

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 27866075) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID27866075
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O5S/c1-32-25-18-23(12-13-24(25)33-20-22-10-6-3-7-11-22)19-27-26(29)14-16-28-34(30,31)17-15-21-8-4-2-5-9-21/h2-13,15,17-18,28H,14,16,19-20H2,1H3,(H,27,29)/b17-15+
InChIKeyIGRJQAWAAIMMKB-BMRADRMJSA-N
XLogP3.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55713372
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867
(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
CID 8802776
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38626738
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 27866075) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is COc1cc(CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is IGRJQAWAAIMMKB-BMRADRMJSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-32-25-18-23(12-13-24(25)33-20-22-10-6-3-7-11-22)19-27-26(29)14-16-28-34(30,31)17-15-21-8-4-2-5-9-21/h2-13,15,17-18,28H,14,16,19-20H2,1H3,(H,27,29)/b17-15+.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 480.59 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 27866075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).