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

C22H27N3O4S — CID 38807911

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 9439731
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 34304081
N-(3-ethylphenyl)-2-[2-(4-methylphenyl)ethenylsulfonylamino]acetamide
CID 78785642
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 30395262
ethyl 5-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]-1-benzothiophene-2-carboxylate
CID 55637978
(E)-N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 34332374
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38626738
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 60513205

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).