N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

C18H21N3O4S — CID 22109501

IUPACN-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13(22)20-16-7-9-17(10-8-16)21-18(23)15-5-3-14(4-6-15)11-12-19-26(2,24)25/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCGKTUTQFSDDGST-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.99
Rot. Bonds7

About N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 22109501) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID22109501
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13(22)20-16-7-9-17(10-8-16)21-18(23)15-5-3-14(4-6-15)11-12-19-26(2,24)25/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCGKTUTQFSDDGST-UHFFFAOYSA-N
XLogP1.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
N-(9H-fluoren-3-yl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 25483410
N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 166182463
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005558
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (CID 22109501) is N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is CGKTUTQFSDDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)20-16-7-9-17(10-8-16)21-18(23)15-5-3-14(4-6-15)11-12-19-26(2,24)25/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 22109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).