2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide

C19H22N2O3S — CID 2271965

IUPAC2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-13-20-19(22)14-21(18-8-6-5-7-16(18)3)25(23,24)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3,(H,20,22)
InChIKeyWQQHFXROBQOMDU-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.80
Rot. Bonds7

About 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide

2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide (PubChem CID 2271965) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
PubChem CID2271965
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-13-20-19(22)14-21(18-8-6-5-7-16(18)3)25(23,24)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3,(H,20,22)
InChIKeyWQQHFXROBQOMDU-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.80
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-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-prop-2-enylacetamide
CID 3138947
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271136
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2283020
N-[(2R)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125074087
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
CID 30170794
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide (CID 2271965) is 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
The InChIKey is WQQHFXROBQOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-13-20-19(22)14-21(18-8-6-5-7-16(18)3)25(23,24)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3,(H,20,22).
What are the key properties of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide?
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 2271965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).