2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C20H26N2O4S — CID 125048959

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16-10-12-17(13-11-16)22(27(4,24)25)14-20(23)21-15(2)18-8-6-7-9-19(18)26-3/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyDOEJJXQQNILDJW-OAHLLOKOSA-N
MW390.51 g/mol
LogP2.90
Rot. Bonds8

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 125048959) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID125048959
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16-10-12-17(13-11-16)22(27(4,24)25)14-20(23)21-15(2)18-8-6-7-9-19(18)26-3/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyDOEJJXQQNILDJW-OAHLLOKOSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133251712
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100518959
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 32758659
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133235695
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133161659
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
CID 133209994
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133228044
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133202270

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 125048959) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is CCc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is DOEJJXQQNILDJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-16-10-12-17(13-11-16)22(27(4,24)25)14-20(23)21-15(2)18-8-6-7-9-19(18)26-3/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 125048959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).