N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C20H26N2O4S — CID 28955234

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-19(16-8-10-17(26-4)11-9-16)21-20(23)14-22(3)27(24,25)18-12-6-15(2)7-13-18/h6-13,19H,5,14H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyOTMUEJSOEAXYRG-IBGZPJMESA-N
MW390.51 g/mol
LogP2.89
Rot. Bonds8

About N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 28955234) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID28955234
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-19(16-8-10-17(26-4)11-9-16)21-20(23)14-22(3)27(24,25)18-12-6-15(2)7-13-18/h6-13,19H,5,14H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyOTMUEJSOEAXYRG-IBGZPJMESA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9296718
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30212074
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43894621
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 55371906
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30306794
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165854
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 132658877
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 28955234) is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is OTMUEJSOEAXYRG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-19(16-8-10-17(26-4)11-9-16)21-20(23)14-22(3)27(24,25)18-12-6-15(2)7-13-18/h6-13,19H,5,14H2,1-4H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 28955234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).