2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide

C20H26N2O4S — CID 30257105

IUPAC2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-12-10-18(11-13-19)22(27(4,24)25)14-20(23)21-16(3)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyMJJDGJDTNYDLTL-MRXNPFEDSA-N
MW390.51 g/mol
LogP3.12
Rot. Bonds8

About 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 30257105) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID30257105
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-12-10-18(11-13-19)22(27(4,24)25)14-20(23)21-16(3)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyMJJDGJDTNYDLTL-MRXNPFEDSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30274560
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30303252
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100518959
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 30257133
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 92671895

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide (CID 30257105) is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide is CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is MJJDGJDTNYDLTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)26-19-12-10-18(11-13-19)22(27(4,24)25)14-20(23)21-16(3)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 30257105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).