3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

C14H20N2O4S — CID 113144562

IUPAC3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-4-9-15-14(17)8-10-16(21(3,18)19)12-6-5-7-13(11-12)20-2/h4-7,11H,1,8-10H2,2-3H3,(H,15,17)
InChIKeyMYHLIAGWXCSCLL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.15
Rot. Bonds8

About 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (PubChem CID 113144562) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
PubChem CID113144562
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-4-9-15-14(17)8-10-16(21(3,18)19)12-6-5-7-13(11-12)20-2/h4-7,11H,1,8-10H2,2-3H3,(H,15,17)
InChIKeyMYHLIAGWXCSCLL-UHFFFAOYSA-N
XLogP1.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide 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

methyl 3-[methylsulfonyl-[3-oxo-3-(prop-2-enylamino)propyl]amino]benzoate
CID 113145588
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
CID 2274017
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288264
N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 113144630
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
N-(2,6-difluorophenyl)-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100745930
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100707968

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (CID 113144562) is 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The InChIKey is MYHLIAGWXCSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-9-15-14(17)8-10-16(21(3,18)19)12-6-5-7-13(11-12)20-2/h4-7,11H,1,8-10H2,2-3H3,(H,15,17).
What are the key properties of 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide has a molecular weight of 312.39 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 113144562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).