N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

C20H25N3O5S — CID 45372690

IUPACN-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-5-23(29(26,27)19-11-14(2)9-10-18(19)28-4)13-20(25)22-17-8-6-7-16(12-17)21-15(3)24/h6-12H,5,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyWDFYRTJGJWOYCP-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.61
Rot. Bonds8

About N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (PubChem CID 45372690) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
PubChem CID45372690
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-5-23(29(26,27)19-11-14(2)9-10-18(19)28-4)13-20(25)22-17-8-6-7-16(12-17)21-15(3)24/h6-12H,5,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyWDFYRTJGJWOYCP-UHFFFAOYSA-N
XLogP2.61
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 45372312
N-(3-chloro-4-methylphenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372313
dimethyl 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45372693
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
N-(1,2-benzothiazol-5-yl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 100796768
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (CID 45372690) is N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The InChIKey is WDFYRTJGJWOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-5-23(29(26,27)19-11-14(2)9-10-18(19)28-4)13-20(25)22-17-8-6-7-16(12-17)21-15(3)24/h6-12H,5,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide has a molecular weight of 419.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 45372690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).