(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C20H22N4O5S — CID 100557677

IUPAC(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccc(-c2noc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C20H22N4O5S/c1-24(30(3,26)27)18(14-7-5-4-6-8-14)20(25)21-13-17-22-19(23-29-17)15-9-11-16(28-2)12-10-15/h4-12,18H,13H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyZKVNZILLDKPDCX-GOSISDBHSA-N
MW430.49 g/mol
LogP1.99
Rot. Bonds8

About (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 100557677) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID100557677
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccc(-c2noc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C20H22N4O5S/c1-24(30(3,26)27)18(14-7-5-4-6-8-14)20(25)21-13-17-22-19(23-29-17)15-9-11-16(28-2)12-10-15/h4-12,18H,13H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyZKVNZILLDKPDCX-GOSISDBHSA-N
XLogP1.99
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133235464
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
CID 132673104
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 2990393
(2R)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 7425580
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828
4-(2-methoxy-N-methylsulfonylanilino)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 100689993
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054925
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133162154
2-(4-methoxyphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657251

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 100557677) is (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is COc1ccc(-c2noc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1.
What is the InChIKey of (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is ZKVNZILLDKPDCX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-24(30(3,26)27)18(14-7-5-4-6-8-14)20(25)21-13-17-22-19(23-29-17)15-9-11-16(28-2)12-10-15/h4-12,18H,13H2,1-3H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 430.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 100557677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).