3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide

C25H27N3O4S — CID 46182506

IUPAC3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18(2)26-25(30)21-10-7-11-23(16-21)28(17-20-8-5-4-6-9-20)33(31,32)24-14-12-22(13-15-24)27-19(3)29/h4-16,18H,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyCVDDOFTWKYBZFG-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.18
Rot. Bonds8

About 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide

3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide (PubChem CID 46182506) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
PubChem CID46182506
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18(2)26-25(30)21-10-7-11-23(16-21)28(17-20-8-5-4-6-9-20)33(31,32)24-14-12-22(13-15-24)27-19(3)29/h4-16,18H,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyCVDDOFTWKYBZFG-UHFFFAOYSA-N
XLogP4.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236
3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
CID 46182680
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
3-oxobutan-2-yl 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 18286020
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
3-[benzyl-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)sulfonyl]amino]-N-propan-2-ylbenzamide
CID 68618762
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 46182411
5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182359

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide (CID 46182506) is 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)NC(C)C)c2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide?
The InChIKey is CVDDOFTWKYBZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-18(2)26-25(30)21-10-7-11-23(16-21)28(17-20-8-5-4-6-9-20)33(31,32)24-14-12-22(13-15-24)27-19(3)29/h4-16,18H,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide?
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46182506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).