N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide

C19H24N2O3S — CID 113142800

IUPACN-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(N(CCC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-16-9-11-18(12-10-16)21(25(2,23)24)14-13-19(22)20-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyASPUMPKRZABTGX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.72
Rot. Bonds8

About N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide

N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142800) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142800
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(N(CCC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-16-9-11-18(12-10-16)21(25(2,23)24)14-13-19(22)20-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyASPUMPKRZABTGX-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826
N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156230
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-(4-cyano-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146962
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide (CID 113142800) is N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide is CCc1ccc(N(CCC(=O)NCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is ASPUMPKRZABTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-16-9-11-18(12-10-16)21(25(2,23)24)14-13-19(22)20-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).