N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide

C25H27NO3S — CID 19210939

IUPACN-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCCCc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO3S/c1-4-5-9-21-13-15-22(16-14-21)26(25(27)24-10-7-6-8-20(24)3)30(28,29)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3
InChIKeyUUJSOPRYTHSEBE-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.68
Rot. Bonds7

About N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide

N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 19210939) has the molecular formula C25H27NO3S and a molecular weight of 421.56 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID19210939
Molecular FormulaC25H27NO3S
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC NameN-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCCCc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO3S/c1-4-5-9-21-13-15-22(16-14-21)26(25(27)24-10-7-6-8-20(24)3)30(28,29)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3
InChIKeyUUJSOPRYTHSEBE-UHFFFAOYSA-N
XLogP5.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylfuran-2-carboxamide
CID 19210446
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210471
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211041
N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 19211346
N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219016
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide (CID 19210939) is N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide is CCCCc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is UUJSOPRYTHSEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3S/c1-4-5-9-21-13-15-22(16-14-21)26(25(27)24-10-7-6-8-20(24)3)30(28,29)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide?
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 421.56 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19210939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).