N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C18H22N2O4S — CID 1095124

IUPACN-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-14-8-5-6-11-17(14)19-18(21)13-20(25(3,22)23)15-9-7-10-16(12-15)24-2/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyXAVSQJGHDWMZPR-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.66
Rot. Bonds7

About N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1095124) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1095124
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-14-8-5-6-11-17(14)19-18(21)13-20(25(3,22)23)15-9-7-10-16(12-15)24-2/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyXAVSQJGHDWMZPR-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 1095124) is N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is CCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is XAVSQJGHDWMZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-14-8-5-6-11-17(14)19-18(21)13-20(25(3,22)23)15-9-7-10-16(12-15)24-2/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1095124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).