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

C20H24N2O3S2 — CID 36784889

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCSc1ccc(CN(C)C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-22(16-18-8-10-19(26-2)11-9-18)20(23)12-14-21-27(24,25)15-13-17-6-4-3-5-7-17/h3-11,13,15,21H,12,14,16H2,1-2H3/b15-13+
InChIKeyUFRBAQQQOKWBPW-FYWRMAATSA-N
MW404.56 g/mol
LogP3.35
Rot. Bonds9

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

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 36784889) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID36784889
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCSc1ccc(CN(C)C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-22(16-18-8-10-19(26-2)11-9-18)20(23)12-14-21-27(24,25)15-13-17-6-4-3-5-7-17/h3-11,13,15,21H,12,14,16H2,1-2H3/b15-13+
InChIKeyUFRBAQQQOKWBPW-FYWRMAATSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 66486373
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 78794208
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
ethyl (E)-3-[4-[2-(2-phenylethenylsulfonylamino)ethyl]phenyl]prop-2-enoate
CID 70513692
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 36784889) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CSc1ccc(CN(C)C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is UFRBAQQQOKWBPW-FYWRMAATSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-22(16-18-8-10-19(26-2)11-9-18)20(23)12-14-21-27(24,25)15-13-17-6-4-3-5-7-17/h3-11,13,15,21H,12,14,16H2,1-2H3/b15-13+.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 404.56 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 36784889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).