N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C24H28N2O4S — CID 100665459

IUPACN-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H28N2O4S/c1-5-21(19-13-14-23(30-3)17(2)15-19)25-24(27)16-26(31(4,28)29)22-12-8-10-18-9-6-7-11-20(18)22/h6-15,21H,5,16H2,1-4H3,(H,25,27)/t21-/m1/s1
InChIKeyQFLSIRBFXHEOOT-OAQYLSRUSA-N
MW440.57 g/mol
LogP4.19
Rot. Bonds8

About N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 100665459) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID100665459
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H28N2O4S/c1-5-21(19-13-14-23(30-3)17(2)15-19)25-24(27)16-26(31(4,28)29)22-12-8-10-18-9-6-7-11-20(18)22/h6-15,21H,5,16H2,1-4H3,(H,25,27)/t21-/m1/s1
InChIKeyQFLSIRBFXHEOOT-OAQYLSRUSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100584779
2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100536656
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303449
N-[1-(3,4-dimethylphenyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43901691
N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896260
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895681
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100732311
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 100665459) is N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CC[C@@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is QFLSIRBFXHEOOT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-5-21(19-13-14-23(30-3)17(2)15-19)25-24(27)16-26(31(4,28)29)22-12-8-10-18-9-6-7-11-20(18)22/h6-15,21H,5,16H2,1-4H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 440.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 100665459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).