3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide

C13H17NO3S — CID 75407300

IUPAC3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-18(16,17)11-9-13(15)14-10-5-8-12-6-3-2-4-7-12/h2-8H,9-11H2,1H3,(H,14,15)/b8-5+
InChIKeyDOZKQJLDVZAPDM-VMPITWQZSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds6

About 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide

3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide (PubChem CID 75407300) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide
PubChem CID75407300
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NC/C=C/c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-18(16,17)11-9-13(15)14-10-5-8-12-6-3-2-4-7-12/h2-8H,9-11H2,1H3,(H,14,15)/b8-5+
InChIKeyDOZKQJLDVZAPDM-VMPITWQZSA-N
XLogP1.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroethylsulfonyl)-N-(3-phenylprop-2-enyl)propanamide
CID 54519102
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
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N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
3-phenylprop-2-enylcarbamothioic S-acid
CID 173357040
1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809
4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 100686451
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 99839399
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
N-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590
N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
CID 62341302
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide (CID 75407300) is 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide is CS(=O)(=O)CCC(=O)NC/C=C/c1ccccc1.
What is the InChIKey of 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The InChIKey is DOZKQJLDVZAPDM-VMPITWQZSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-18(16,17)11-9-13(15)14-10-5-8-12-6-3-2-4-7-12/h2-8H,9-11H2,1H3,(H,14,15)/b8-5+.
What are the key properties of 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide has a molecular weight of 267.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide is sourced from PubChem (CID 75407300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).