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

C18H16BrClN4O4S — CID 100702576

IUPACN-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16BrClN4O4S/c1-24(29(26,27)15-7-5-14(20)6-8-15)11-16(25)21-10-17-22-18(23-28-17)12-3-2-4-13(19)9-12/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyQZFSKJFMECNLLN-UHFFFAOYSA-N
MW499.77 g/mol
LogP3.09
Rot. Bonds7

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

N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 100702576) has the molecular formula C18H16BrClN4O4S and a molecular weight of 499.77 g/mol. Its IUPAC name is N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID100702576
Molecular FormulaC18H16BrClN4O4S
Molecular Weight499.77 g/mol
Exact Mass497.98
IUPAC NameN-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16BrClN4O4S/c1-24(29(26,27)15-7-5-14(20)6-8-15)11-16(25)21-10-17-22-18(23-28-17)12-3-2-4-13(19)9-12/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyQZFSKJFMECNLLN-UHFFFAOYSA-N
XLogP3.09
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 50874874
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100773618
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-chloro-N-methylbenzamide
CID 50874602
4-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95209114
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-chlorophenoxy)acetamide
CID 50875156
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100699712
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 100765181
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-chlorophenyl)-N-methylpropanamide
CID 100591109
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682965
(E)-N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 99998569

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 100702576) is N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NCc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is QZFSKJFMECNLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4O4S/c1-24(29(26,27)15-7-5-14(20)6-8-15)11-16(25)21-10-17-22-18(23-28-17)12-3-2-4-13(19)9-12/h2-9H,10-11H2,1H3,(H,21,25).
What are the key properties of N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 499.77 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100702576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).