N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C21H22Cl2N4O4S — CID 2216008

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22Cl2N4O4S/c1-14(2)27(12-19-24-21(25-31-19)15-4-6-16(22)7-5-15)20(28)13-26(3)32(29,30)18-10-8-17(23)9-11-18/h4-11,14H,12-13H2,1-3H3
InChIKeyCVTQYKKWQJBSSM-UHFFFAOYSA-N
MW497.40 g/mol
LogP4.10
Rot. Bonds8

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 2216008) has the molecular formula C21H22Cl2N4O4S and a molecular weight of 497.40 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID2216008
Molecular FormulaC21H22Cl2N4O4S
Molecular Weight497.40 g/mol
Exact Mass496.07
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22Cl2N4O4S/c1-14(2)27(12-19-24-21(25-31-19)15-4-6-16(22)7-5-15)20(28)13-26(3)32(29,30)18-10-8-17(23)9-11-18/h4-11,14H,12-13H2,1-3H3
InChIKeyCVTQYKKWQJBSSM-UHFFFAOYSA-N
XLogP4.10
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 2216008) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is CVTQYKKWQJBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O4S/c1-14(2)27(12-19-24-21(25-31-19)15-4-6-16(22)7-5-15)20(28)13-26(3)32(29,30)18-10-8-17(23)9-11-18/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 497.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2216008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).