2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide

C20H25N3O5S — CID 9365795

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-4-8-18(9-5-15)28-13-12-21-20(25)14-23(3)29(26,27)19-10-6-17(7-11-19)22-16(2)24/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyITLPZPZMFBFQRA-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.77
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 9365795) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID9365795
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-4-8-18(9-5-15)28-13-12-21-20(25)14-23(3)29(26,27)19-10-6-17(7-11-19)22-16(2)24/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyITLPZPZMFBFQRA-UHFFFAOYSA-N
XLogP1.77
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365896
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211535
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30212134
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531388
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 9365795) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is ITLPZPZMFBFQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-15-4-8-18(9-5-15)28-13-12-21-20(25)14-23(3)29(26,27)19-10-6-17(7-11-19)22-16(2)24/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9365795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).