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

C21H28N2O4S — CID 100732311

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H28N2O4S/c1-5-19(18-11-12-20(27-3)16(2)13-18)22-21(24)15-23(28(4,25)26)14-17-9-7-6-8-10-17/h6-13,19H,5,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyOZCDKUJRTFCWEG-LJQANCHMSA-N
MW404.53 g/mol
LogP3.03
Rot. Bonds9

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

2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide (PubChem CID 100732311) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
PubChem CID100732311
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H28N2O4S/c1-5-19(18-11-12-20(27-3)16(2)13-18)22-21(24)15-23(28(4,25)26)14-17-9-7-6-8-10-17/h6-13,19H,5,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyOZCDKUJRTFCWEG-LJQANCHMSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.03
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-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431
2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 100665459
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 125057942
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-(4-phenylphenyl)acetamide
CID 100517764
(2R)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100529007
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-(4-methoxy-3-methylphenyl)-N-(1-phenylpropyl)acetamide
CID 133210916

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide (CID 100732311) is 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The InChIKey is OZCDKUJRTFCWEG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-19(18-11-12-20(27-3)16(2)13-18)22-21(24)15-23(28(4,25)26)14-17-9-7-6-8-10-17/h6-13,19H,5,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 100732311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).