3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

C18H22N2O3S2 — CID 51207453

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-12-20(14-16-5-4-13-24-16)18(21)11-8-15-6-9-17(10-7-15)25(22,23)19-2/h3-7,9-10,13,19H,1,8,11-12,14H2,2H3
InChIKeyMTGYZRGINQIDPS-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.80
Rot. Bonds9

About 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 51207453) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID51207453
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-12-20(14-16-5-4-13-24-16)18(21)11-8-15-6-9-17(10-7-15)25(22,23)19-2/h3-7,9-10,13,19H,1,8,11-12,14H2,2H3
InChIKeyMTGYZRGINQIDPS-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 24548150
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 31840668
N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55429790
N-[(1-methylpyrrol-2-yl)methyl]-3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91624509
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 55372675
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (CID 51207453) is 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is C=CCN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is MTGYZRGINQIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-12-20(14-16-5-4-13-24-16)18(21)11-8-15-6-9-17(10-7-15)25(22,23)19-2/h3-7,9-10,13,19H,1,8,11-12,14H2,2H3.
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 51207453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).