N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide

C21H28N2O3S — CID 113142592

IUPACN-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-22(16-19-11-7-6-8-12-19)21(24)14-15-23(27(4,25)26)20-13-9-10-17(2)18(20)3/h6-13H,5,14-16H2,1-4H3
InChIKeyBWEOUYYDNHDLDZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.51
Rot. Bonds8

About N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide

N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide (PubChem CID 113142592) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide
PubChem CID113142592
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-22(16-19-11-7-6-8-12-19)21(24)14-15-23(27(4,25)26)20-13-9-10-17(2)18(20)3/h6-13H,5,14-16H2,1-4H3
InChIKeyBWEOUYYDNHDLDZ-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113147230
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113146850
N-benzyl-N-[1-(butylamino)-1-oxopropan-2-yl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 132725814
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N-benzyl-4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132678007
N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
CID 113146440
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
N-benzyl-4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2R)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 125074733
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-[benzyl-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132673582
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide (CID 113142592) is N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(c1cccc(C)c1C)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide?
The InChIKey is BWEOUYYDNHDLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-22(16-19-11-7-6-8-12-19)21(24)14-15-23(27(4,25)26)20-13-9-10-17(2)18(20)3/h6-13H,5,14-16H2,1-4H3.
What are the key properties of N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide?
N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide has a molecular weight of 388.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide is sourced from PubChem (CID 113142592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).