N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide

C24H25N3O4S — CID 1210602

IUPACN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-3-19-9-15-22(16-10-19)27(32(30,31)23-7-5-4-6-8-23)17-24(29)26-21-13-11-20(12-14-21)25-18(2)28/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeySMCMCJGVYHKQDO-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.04
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide (PubChem CID 1210602) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide
PubChem CID1210602
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-3-19-9-15-22(16-10-19)27(32(30,31)23-7-5-4-6-8-23)17-24(29)26-21-13-11-20(12-14-21)25-18(2)28/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeySMCMCJGVYHKQDO-UHFFFAOYSA-N
XLogP4.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-(2-Amino-phenyl)-3-[4-(toluene-4-sulfonylamino)-phenyl]-acrylamide
CID 9953205
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
AZ12260493
CID 11655079
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide (CID 1210602) is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide is CCc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide?
The InChIKey is SMCMCJGVYHKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-3-19-9-15-22(16-10-19)27(32(30,31)23-7-5-4-6-8-23)17-24(29)26-21-13-11-20(12-14-21)25-18(2)28/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide?
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide has a molecular weight of 451.55 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-ethylanilino]acetamide is sourced from PubChem (CID 1210602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).