N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide

C20H26N2O3S — CID 113153950

IUPACN-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-21(14-18-9-7-6-8-10-18)20(23)15-22(26(4,24)25)19-12-16(2)11-17(3)13-19/h6-13H,5,14-15H2,1-4H3
InChIKeyLNBOEDMMTBNTEI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.12
Rot. Bonds7

About N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide

N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide (PubChem CID 113153950) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
PubChem CID113153950
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-21(14-18-9-7-6-8-10-18)20(23)15-22(26(4,24)25)19-12-16(2)11-17(3)13-19/h6-13H,5,14-15H2,1-4H3
InChIKeyLNBOEDMMTBNTEI-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
CID 113157686
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
(2S)-2-[benzyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 100538665
(2S)-2-[benzyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100641494
2-[benzyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-butylbutanamide
CID 132986861
2-[benzyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-butan-2-ylbutanamide
CID 132986454
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
(2R)-2-[benzyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524299
(2R)-2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100685461
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide (CID 113153950) is N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide?
The InChIKey is LNBOEDMMTBNTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-21(14-18-9-7-6-8-10-18)20(23)15-22(26(4,24)25)19-12-16(2)11-17(3)13-19/h6-13H,5,14-15H2,1-4H3.
What are the key properties of N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide?
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide has a molecular weight of 374.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide is sourced from PubChem (CID 113153950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).