N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide

C27H26N2O5S — CID 19219016

IUPACN-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCCCCc1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O5S/c1-3-4-7-20-12-14-21(15-13-20)29(35(33,34)22-16-10-19(2)11-17-22)25(30)18-28-26(31)23-8-5-6-9-24(23)27(28)32/h5-6,8-17H,3-4,7,18H2,1-2H3
InChIKeyFGFADXHKLVSVNN-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.36
Rot. Bonds8

About N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide

N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 19219016) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID19219016
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC NameN-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCCCCc1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O5S/c1-3-4-7-20-12-14-21(15-13-20)29(35(33,34)22-16-10-19(2)11-17-22)25(30)18-28-26(31)23-8-5-6-9-24(23)27(28)32/h5-6,8-17H,3-4,7,18H2,1-2H3
InChIKeyFGFADXHKLVSVNN-UHFFFAOYSA-N
XLogP4.36
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-6-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylhexanamide
CID 19219107
N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19219040
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219033
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylfuran-2-carboxamide
CID 19210446
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210471

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide (CID 19219016) is N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide is CCCCc1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is FGFADXHKLVSVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-3-4-7-20-12-14-21(15-13-20)29(35(33,34)22-16-10-19(2)11-17-22)25(30)18-28-26(31)23-8-5-6-9-24(23)27(28)32/h5-6,8-17H,3-4,7,18H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide?
N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 490.58 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 19219016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).