N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide

C18H22N2O4S — CID 55666139

IUPACN-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(15-5-4-6-16(12-15)20-25(3,22)23)19-18(21)11-14-7-9-17(24-2)10-8-14/h4-10,12-13,20H,11H2,1-3H3,(H,19,21)
InChIKeyNMJQIDXHLOFJAI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.49
Rot. Bonds7

About N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 55666139) 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-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID55666139
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(15-5-4-6-16(12-15)20-25(3,22)23)19-18(21)11-14-7-9-17(24-2)10-8-14/h4-10,12-13,20H,11H2,1-3H3,(H,19,21)
InChIKeyNMJQIDXHLOFJAI-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55666210
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
CID 51947344
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
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
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786931

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 55666139) is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NMJQIDXHLOFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(15-5-4-6-16(12-15)20-25(3,22)23)19-18(21)11-14-7-9-17(24-2)10-8-14/h4-10,12-13,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.49, 7 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 55666139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).