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N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C22H27N3O4S — CID 38807911

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCCN(Cc1cccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1)C(C)=O
InChIInChI=1S/C22H27N3O4S/c1-3-25(18(2)26)17-20-10-7-11-21(16-20)24-22(27)12-14-23-30(28,29)15-13-19-8-5-4-6-9-19/h4-11,13,15-16,23H,3,12,14,17H2,1-2H3,(H,24,27)/b15-13+
InChIKeyTYALYPZIOPVKGY-FYWRMAATSA-N
MW429.54 g/mol
LogP2.97
Rot. Bonds10

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 38807911) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID38807911
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCCN(Cc1cccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1)C(C)=O
InChIInChI=1S/C22H27N3O4S/c1-3-25(18(2)26)17-20-10-7-11-21(16-20)24-22(27)12-14-23-30(28,29)15-13-19-8-5-4-6-9-19/h4-11,13,15-16,23H,3,12,14,17H2,1-2H3,(H,24,27)/b15-13+
InChIKeyTYALYPZIOPVKGY-FYWRMAATSA-N
XLogP2.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 38807911) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CCN(Cc1cccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is TYALYPZIOPVKGY-FYWRMAATSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-25(18(2)26)17-20-10-7-11-21(16-20)24-22(27)12-14-23-30(28,29)15-13-19-8-5-4-6-9-19/h4-11,13,15-16,23H,3,12,14,17H2,1-2H3,(H,24,27)/b15-13+.
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 429.54 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 38807911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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