N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide

C18H22N2O4S — CID 60512770

IUPACN-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
SMILESCC(NC(=O)COCc1ccccc1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14(16-9-6-10-17(11-16)20-25(2,22)23)19-18(21)13-24-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyJKTBEVLYBIPZSA-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.45
Rot. Bonds8

About N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide (PubChem CID 60512770) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
PubChem CID60512770
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
SMILESCC(NC(=O)COCc1ccccc1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14(16-9-6-10-17(11-16)20-25(2,22)23)19-18(21)13-24-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyJKTBEVLYBIPZSA-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
CID 51947344
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
3-(2,3-dimethylphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711377
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide (CID 60512770) is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide is CC(NC(=O)COCc1ccccc1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide?
The InChIKey is JKTBEVLYBIPZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(16-9-6-10-17(11-16)20-25(2,22)23)19-18(21)13-24-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide?
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide has a molecular weight of 362.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 60512770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).