N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide

C20H24N2O4S — CID 113070993

IUPACN-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CCNC(=O)Cc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-15-6-4-7-17(12-15)13-20(24)21-10-11-22(27(3,25)26)19-9-5-8-18(14-19)16(2)23/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyYZMXRFFXLCKTPL-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.32
Rot. Bonds8

About N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide

N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 113070993) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID113070993
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CCNC(=O)Cc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-15-6-4-7-17(12-15)13-20(24)21-10-11-22(27(3,25)26)19-9-5-8-18(14-19)16(2)23/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyYZMXRFFXLCKTPL-UHFFFAOYSA-N
XLogP2.32
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070961
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
N-[2-(N,4-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061683
(2R)-2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125071870
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide (CID 113070993) is N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide is CC(=O)c1cccc(N(CCNC(=O)Cc2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is YZMXRFFXLCKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-6-4-7-17(12-15)13-20(24)21-10-11-22(27(3,25)26)19-9-5-8-18(14-19)16(2)23/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide?
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113070993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).