N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C24H28N2O3S — CID 43896260

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C24H28N2O3S/c1-5-22(20-14-13-17(2)15-18(20)3)25-24(27)16-26(30(4,28)29)23-12-8-10-19-9-6-7-11-21(19)23/h6-15,22H,5,16H2,1-4H3,(H,25,27)
InChIKeyWYLJYYJTCDTMBM-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.49
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 43896260) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID43896260
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C24H28N2O3S/c1-5-22(20-14-13-17(2)15-18(20)3)25-24(27)16-26(30(4,28)29)23-12-8-10-19-9-6-7-11-21(19)23/h6-15,22H,5,16H2,1-4H3,(H,25,27)
InChIKeyWYLJYYJTCDTMBM-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30225236
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30244091
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 100665459
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30219832
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30254871
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30274731
N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
CID 132673931
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 43896260) is N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is WYLJYYJTCDTMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-5-22(20-14-13-17(2)15-18(20)3)25-24(27)16-26(30(4,28)29)23-12-8-10-19-9-6-7-11-21(19)23/h6-15,22H,5,16H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 43896260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).