3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide

C14H17NO3S — CID 78784574

IUPAC3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H17NO3S/c1-4-9-15(10-5-2)14(16)12-7-6-8-13(11-12)19(3,17)18/h4-8,11H,1-2,9-10H2,3H3
InChIKeyQDRWNGGIGONGPB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.90
Rot. Bonds6

About 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide

3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide (PubChem CID 78784574) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
PubChem CID78784574
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H17NO3S/c1-4-9-15(10-5-2)14(16)12-7-6-8-13(11-12)19(3,17)18/h4-8,11H,1-2,9-10H2,3H3
InChIKeyQDRWNGGIGONGPB-UHFFFAOYSA-N
XLogP1.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide 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-[(5-chlorothiophen-2-yl)methyl]-3-methylsulfonyl-N-prop-2-enylbenzamide
CID 51177453
N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide
CID 61348545
3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
CID 56794238
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N,N-bis(prop-2-enyl)benzamide
CID 2344808
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-butyl-N-(2-chloroethyl)-3-methylsulfonylbenzamide
CID 63391720
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
(3-methylsulfonylbenzoyl)azanium
CID 163693398
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
(E)-3-(3-methylsulfonylphenyl)but-2-enoic acid
CID 83957430
N-(2-chloroethyl)-3-methylsulfonyl-N-propan-2-ylbenzamide
CID 63393933

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide (CID 78784574) is 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is QDRWNGGIGONGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-9-15(10-5-2)14(16)12-7-6-8-13(11-12)19(3,17)18/h4-8,11H,1-2,9-10H2,3H3.
What are the key properties of 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide?
3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 78784574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).