N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

C21H28N2O3S — CID 113154114

IUPACN-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-19-13-9-10-14-20(19)23(27(4,25)26)16-21(24)22(17(2)3)15-18-11-7-6-8-12-18/h6-14,17H,5,15-16H2,1-4H3
InChIKeySVSBRACGHSCCQC-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.45
Rot. Bonds8

About N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 113154114) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
PubChem CID113154114
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-19-13-9-10-14-20(19)23(27(4,25)26)16-21(24)22(17(2)3)15-18-11-7-6-8-12-18/h6-14,17H,5,15-16H2,1-4H3
InChIKeySVSBRACGHSCCQC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[benzyl-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(2S)-butan-2-yl]-3-phenylpropanamide
CID 125112354
2-[benzyl-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-butan-2-yl-3-phenylpropanamide
CID 133226849
(2R)-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 125043874
(2S)-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100532027
2-[(4-bromophenyl)methyl-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132635744
2-[(4-chlorophenyl)methyl-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132625618
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 125101922
N-tert-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132986601
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 132676411
(2R)-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 125066222
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100535179
N-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132726570

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (CID 113154114) is N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is CCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is SVSBRACGHSCCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-19-13-9-10-14-20(19)23(27(4,25)26)16-21(24)22(17(2)3)15-18-11-7-6-8-12-18/h6-14,17H,5,15-16H2,1-4H3.
What are the key properties of N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 388.53 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 113154114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).