N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide

C21H27N3O4S — CID 108571276

IUPACN-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-21(2,3)17-9-11-18(12-10-17)29(27,28)24-14-13-22-19(25)15-23-20(26)16-7-5-4-6-8-16/h4-12,24H,13-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYBQNHNWSVJCZBZ-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.81
Rot. Bonds8

About N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide

N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 108571276) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
PubChem CID108571276
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-21(2,3)17-9-11-18(12-10-17)29(27,28)24-14-13-22-19(25)15-23-20(26)16-7-5-4-6-8-16/h4-12,24H,13-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYBQNHNWSVJCZBZ-UHFFFAOYSA-N
XLogP1.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
[3-[2-[(4-tert-butylphenyl)sulfonylamino]ethylcarbamoyl]phenyl] acetate
CID 108570455
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide (CID 108571276) is N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide is CC(C)(C)c1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is YBQNHNWSVJCZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-21(2,3)17-9-11-18(12-10-17)29(27,28)24-14-13-22-19(25)15-23-20(26)16-7-5-4-6-8-16/h4-12,24H,13-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108571276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).