2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide

C19H25N3O4S — CID 100589399

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)c2ccccc2)cc1
InChIInChI=1S/C19H25N3O4S/c1-21(16-7-5-4-6-8-16)14-13-20-19(23)15-22(2)27(24,25)18-11-9-17(26-3)10-12-18/h4-12H,13-15H2,1-3H3,(H,20,23)
InChIKeyMNISBJVWMILLHJ-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.57
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 100589399) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID100589399
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)c2ccccc2)cc1
InChIInChI=1S/C19H25N3O4S/c1-21(16-7-5-4-6-8-16)14-13-20-19(23)15-22(2)27(24,25)18-11-9-17(26-3)10-12-18/h4-12H,13-15H2,1-3H3,(H,20,23)
InChIKeyMNISBJVWMILLHJ-UHFFFAOYSA-N
XLogP1.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30220843
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100588449
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide (CID 100589399) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is MNISBJVWMILLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-21(16-7-5-4-6-8-16)14-13-20-19(23)15-22(2)27(24,25)18-11-9-17(26-3)10-12-18/h4-12H,13-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 100589399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).