N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide

C18H22N2O4S — CID 133251712

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-14(16-11-7-8-12-17(16)24-2)19-18(21)13-20(25(3,22)23)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyMWOFLFYFYHSVJW-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.34
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide

N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 133251712) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID133251712
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-14(16-11-7-8-12-17(16)24-2)19-18(21)13-20(25(3,22)23)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyMWOFLFYFYHSVJW-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100518959
2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 32758659
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
CID 133209994
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133186266
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133228044
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133235695
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100540514
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133202270
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 100766570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide (CID 133251712) is N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide is COc1ccccc1C(C)NC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is MWOFLFYFYHSVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(16-11-7-8-12-17(16)24-2)19-18(21)13-20(25(3,22)23)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 133251712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).