2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide

C15H22N2O3S — CID 113148147

IUPAC2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-5-10-17(21(4,19)20)11-15(18)16-14-9-7-6-8-13(14)12(2)3/h5-9,12H,1,10-11H2,2-4H3,(H,16,18)
InChIKeyVPXQNBBQTKKCCF-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.20
Rot. Bonds7

About 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide

2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113148147) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113148147
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-5-10-17(21(4,19)20)11-15(18)16-14-9-7-6-8-13(14)12(2)3/h5-9,12H,1,10-11H2,2-4H3,(H,16,18)
InChIKeyVPXQNBBQTKKCCF-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 113152077
N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148224
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 9298290
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113137715
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126138647
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide (CID 113148147) is 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide is C=CCN(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is VPXQNBBQTKKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-10-17(21(4,19)20)11-15(18)16-14-9-7-6-8-13(14)12(2)3/h5-9,12H,1,10-11H2,2-4H3,(H,16,18).
What are the key properties of 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113148147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).