2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide

C14H21NO3S — CID 17309471

IUPAC2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-12(5-2)15-14(16)10-19(17,18)13-8-6-11(3)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyRGGMJJMHKUABEX-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide

2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide (PubChem CID 17309471) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
PubChem CID17309471
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-12(5-2)15-14(16)10-19(17,18)13-8-6-11(3)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyRGGMJJMHKUABEX-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfonylbenzoic acid
CID 60709127
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309469
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
CID 8742992
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
N'-butylsulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide
CID 146673615
(2R)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methylbutanoic acid
CID 119369259

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide (CID 17309471) is 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide?
The InChIKey is RGGMJJMHKUABEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-12(5-2)15-14(16)10-19(17,18)13-8-6-11(3)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide?
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide has a molecular weight of 283.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 17309471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).