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

C19H22N2O4S — CID 113071035

IUPACN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)c1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-15(22)17-8-10-18(11-9-17)21(26(2,24)25)13-12-20-19(23)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyRORITQNZSQMVKE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.01
Rot. Bonds8

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

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide (PubChem CID 113071035) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
PubChem CID113071035
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)c1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-15(22)17-8-10-18(11-9-17)21(26(2,24)25)13-12-20-19(23)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyRORITQNZSQMVKE-UHFFFAOYSA-N
XLogP2.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
CID 113068029
N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
CID 113072304
2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide (CID 113071035) is N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide is CC(=O)c1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
The InChIKey is RORITQNZSQMVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15(22)17-8-10-18(11-9-17)21(26(2,24)25)13-12-20-19(23)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide has a molecular weight of 374.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113071035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).