N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide

C20H25NO5S — CID 155576051

IUPACN-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide
SMILESCCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1S(=O)(=O)NC(C)=O
InChIInChI=1S/C20H25NO5S/c1-4-5-6-9-16-12-17(23)18(15-10-7-8-13(2)11-15)19(24)20(16)27(25,26)21-14(3)22/h7-8,10-12,23-24H,4-6,9H2,1-3H3,(H,21,22)
InChIKeyDTQPHYYUOZTLTF-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.63
Rot. Bonds7

About N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide

N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide (PubChem CID 155576051) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide
PubChem CID155576051
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide
SMILESCCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1S(=O)(=O)NC(C)=O
InChIInChI=1S/C20H25NO5S/c1-4-5-6-9-16-12-17(23)18(15-10-7-8-13(2)11-15)19(24)20(16)27(25,26)21-14(3)22/h7-8,10-12,23-24H,4-6,9H2,1-3H3,(H,21,22)
InChIKeyDTQPHYYUOZTLTF-UHFFFAOYSA-N
XLogP3.63
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-3-(3-methylphenyl)-6-pentyl-N-propan-2-ylbenzenesulfonamide
CID 155576064
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonyl-2-(furan-2-yl)acetamide
CID 155576199
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonyl-3-(4-methylpiperazin-1-yl)propanamide
CID 155576188
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 155576089
4-(2-chloropyrimidin-5-yl)sulfonyl-2-(3-methylphenyl)-5-pentylbenzene-1,3-diol
CID 155576169
1-[2-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylethyl]pyrrolidine-2,5-dione
CID 165175752
7-hydroxy-2-methyl-8-(3-methylphenyl)-2-(2-oxopropyl)-5-pentyl-1,3-benzodioxin-4-one
CID 155459157
(1-methylcyclopropyl) N-[[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]methyl]carbamate
CID 166514097
N-cyclopropyl-2,4-dihydroxy-3-(5-methyl-2-prop-1-en-2-ylphenyl)-6-pentylbenzenesulfonamide
CID 155576135
methyl (2R)-1-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylbenzoyl]pyrrolidine-2-carboxylate
CID 156715959
N-benzyl-2,4-dihydroxy-3-(5-methyl-2-prop-1-en-2-ylphenyl)-6-pentylbenzenesulfonamide
CID 155576052
5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 155575423

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide?
The IUPAC name of N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide (CID 155576051) is N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide.
What is the SMILES notation for N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide?
The canonical SMILES for N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide is CCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1S(=O)(=O)NC(C)=O.
What is the InChIKey of N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide?
The InChIKey is DTQPHYYUOZTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-5-6-9-16-12-17(23)18(15-10-7-8-13(2)11-15)19(24)20(16)27(25,26)21-14(3)22/h7-8,10-12,23-24H,4-6,9H2,1-3H3,(H,21,22).
What are the key properties of N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide?
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide has a molecular weight of 391.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide is sourced from PubChem (CID 155576051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).