N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C28H34N2O3S — CID 43893746

IUPACN-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C28H34N2O3S/c1-5-24(18-25-9-7-6-8-10-25)19-29-28(31)20-30(27-16-13-22(3)17-23(27)4)34(32,33)26-14-11-21(2)12-15-26/h6-17,24H,5,18-20H2,1-4H3,(H,29,31)
InChIKeyAVFMXUBWWOXGAC-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.19
Rot. Bonds10

About N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43893746) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43893746
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC NameN-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C28H34N2O3S/c1-5-24(18-25-9-7-6-8-10-25)19-29-28(31)20-30(27-16-13-22(3)17-23(27)4)34(32,33)26-14-11-21(2)12-15-26/h6-17,24H,5,18-20H2,1-4H3,(H,29,31)
InChIKeyAVFMXUBWWOXGAC-UHFFFAOYSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894914
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-ethylacetamide
CID 30170440
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43898709
(2R)-2-[benzyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 100537931
2-[benzyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 132687851
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439
(2S)-2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100743031
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229047
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30305984

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43893746) is N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCC(CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is AVFMXUBWWOXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-5-24(18-25-9-7-6-8-10-25)19-29-28(31)20-30(27-16-13-22(3)17-23(27)4)34(32,33)26-14-11-21(2)12-15-26/h6-17,24H,5,18-20H2,1-4H3,(H,29,31).
What are the key properties of N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 478.66 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43893746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).