2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide

C19H22N2O4S — CID 113155655

IUPAC2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(c1ccc(C(C)=O)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-4-20(17-8-6-5-7-9-17)19(23)14-21(26(3,24)25)18-12-10-16(11-13-18)15(2)22/h5-13H,4,14H2,1-3H3
InChIKeyUIKPKHUHOZBTFH-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.71
Rot. Bonds7

About 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide

2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide (PubChem CID 113155655) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
PubChem CID113155655
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(c1ccc(C(C)=O)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-4-20(17-8-6-5-7-9-17)19(23)14-21(26(3,24)25)18-12-10-16(11-13-18)15(2)22/h5-13H,4,14H2,1-3H3
InChIKeyUIKPKHUHOZBTFH-UHFFFAOYSA-N
XLogP2.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
CID 113156576
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163
N-ethyl-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 113155307
2-(N-methylsulfonylanilino)acetate
CID 2063945
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
methyl 4-[methylsulfonyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]benzoate
CID 56539379
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
CID 113149508

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide (CID 113155655) is 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(c1ccc(C(C)=O)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is UIKPKHUHOZBTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-20(17-8-6-5-7-9-17)19(23)14-21(26(3,24)25)18-12-10-16(11-13-18)15(2)22/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 374.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113155655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).