2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide

C15H23NO3S — CID 17309433

IUPAC2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-4-10-16(11-5-2)15(17)12-20(18,19)14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyQNWRQFDBLSFGDD-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.42
Rot. Bonds7

About 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide

2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide (PubChem CID 17309433) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
PubChem CID17309433
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-4-10-16(11-5-2)15(17)12-20(18,19)14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyQNWRQFDBLSFGDD-UHFFFAOYSA-N
XLogP2.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
CID 17309418
2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
CID 3265558
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416392
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide (CID 17309433) is 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide?
The InChIKey is QNWRQFDBLSFGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-10-16(11-5-2)15(17)12-20(18,19)14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide?
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide has a molecular weight of 297.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide is sourced from PubChem (CID 17309433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).