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

C20H21ClN4O4S — CID 133199268

IUPACN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C20H21ClN4O4S/c1-24(13-17-22-19(23-29-17)15-10-7-11-16(21)12-15)20(26)18(25(2)30(3,27)28)14-8-5-4-6-9-14/h4-12,18H,13H2,1-3H3
InChIKeyRWSNSOMFFIBQIG-UHFFFAOYSA-N
MW448.93 g/mol
LogP2.98
Rot. Bonds7

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

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133199268) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133199268
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C20H21ClN4O4S/c1-24(13-17-22-19(23-29-17)15-10-7-11-16(21)12-15)20(26)18(25(2)30(3,27)28)14-8-5-4-6-9-14/h4-12,18H,13H2,1-3H3
InChIKeyRWSNSOMFFIBQIG-UHFFFAOYSA-N
XLogP2.98
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 27097699
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(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874769
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
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3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133199268) is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is RWSNSOMFFIBQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-24(13-17-22-19(23-29-17)15-10-7-11-16(21)12-15)20(26)18(25(2)30(3,27)28)14-8-5-4-6-9-14/h4-12,18H,13H2,1-3H3.
What are the key properties of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 448.93 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133199268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).