2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide

C14H18N2O4S — CID 39083697

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H18N2O4S/c1-3-8-15-13(17)9-21(19,20)10-14(18)16-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyPOFBPPIMWRCPNS-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.65
Rot. Bonds7

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide (PubChem CID 39083697) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
PubChem CID39083697
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H18N2O4S/c1-3-8-15-13(17)9-21(19,20)10-14(18)16-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyPOFBPPIMWRCPNS-UHFFFAOYSA-N
XLogP0.65
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetate
CID 6986822
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39076479
2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39083744
N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39076426
N'-[(4-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 4161729
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
N-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfonylacetamide
CID 114232957
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide (CID 39083697) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide is C=CCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide?
The InChIKey is POFBPPIMWRCPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-8-15-13(17)9-21(19,20)10-14(18)16-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide has a molecular weight of 310.38 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide is sourced from PubChem (CID 39083697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).