4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide

C26H28N2O4S — CID 39080326

IUPAC4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-20(2)28(17-21-9-5-3-6-10-21)26(30)23-15-13-22(14-16-23)18-33(31,32)19-25(29)27-24-11-7-4-8-12-24/h3-16,20H,17-19H2,1-2H3,(H,27,29)
InChIKeyVNNPBMLMKNBLCV-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.29
Rot. Bonds9

About 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide

4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide (PubChem CID 39080326) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
PubChem CID39080326
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-20(2)28(17-21-9-5-3-6-10-21)26(30)23-15-13-22(14-16-23)18-33(31,32)19-25(29)27-24-11-7-4-8-12-24/h3-16,20H,17-19H2,1-2H3,(H,27,29)
InChIKeyVNNPBMLMKNBLCV-UHFFFAOYSA-N
XLogP4.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
CID 39080347
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
CID 39080358
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 30100120
2-benzylsulfonyl-N-propylacetamide
CID 47155800
propan-2-yl 4-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731169
2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide
CID 39080342
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide (CID 39080326) is 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide?
The InChIKey is VNNPBMLMKNBLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-20(2)28(17-21-9-5-3-6-10-21)26(30)23-15-13-22(14-16-23)18-33(31,32)19-25(29)27-24-11-7-4-8-12-24/h3-16,20H,17-19H2,1-2H3,(H,27,29).
What are the key properties of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide?
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide has a molecular weight of 464.59 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 39080326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).