N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide

C24H28N4O3S — CID 4816822

IUPACN-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CC(=O)Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C24H28N4O3S/c1-5-28(20-9-7-6-8-10-20)32(30,31)21-13-14-23(25-16-21)27(4)17-24(29)26-22-15-18(2)11-12-19(22)3/h6-16H,5,17H2,1-4H3,(H,26,29)
InChIKeyYYBHYNSUMBPBLV-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.99
Rot. Bonds8

About N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide

N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide (PubChem CID 4816822) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
PubChem CID4816822
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CC(=O)Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C24H28N4O3S/c1-5-28(20-9-7-6-8-10-20)32(30,31)21-13-14-23(25-16-21)27(4)17-24(29)26-22-15-18(2)11-12-19(22)3/h6-16H,5,17H2,1-4H3,(H,26,29)
InChIKeyYYBHYNSUMBPBLV-UHFFFAOYSA-N
XLogP3.99
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(diethylsulfamoyl)-2-pyridinyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9195255
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,5-dimethylphenyl)acetamide
CID 2889396
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 53280294
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1320752
2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 4822719
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide (CID 4816822) is N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CC(=O)Nc2cc(C)ccc2C)nc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
The InChIKey is YYBHYNSUMBPBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-5-28(20-9-7-6-8-10-20)32(30,31)21-13-14-23(25-16-21)27(4)17-24(29)26-22-15-18(2)11-12-19(22)3/h6-16H,5,17H2,1-4H3,(H,26,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 4816822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).