2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide

C14H20N2O4S — CID 39083686

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-8-15-13(17)9-21(19,20)10-14(18)16-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRTZKVYKJRWWDOZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.87
Rot. Bonds7

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

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide (PubChem CID 39083686) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
PubChem CID39083686
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-8-15-13(17)9-21(19,20)10-14(18)16-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRTZKVYKJRWWDOZ-UHFFFAOYSA-N
XLogP0.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
CID 39083697
2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetate
CID 6986822
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
2-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39076479
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39076426
N-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfonylacetamide
CID 114232957
2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39083744
2-benzylsulfonyl-N-propylacetamide
CID 47155800
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide (CID 39083686) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide?
The InChIKey is RTZKVYKJRWWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-8-15-13(17)9-21(19,20)10-14(18)16-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide has a molecular weight of 312.39 g/mol, XLogP of 0.87, 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-propylacetamide is sourced from PubChem (CID 39083686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).