N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

C19H16BrClN4O3S — CID 26712920

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16BrClN4O3S/c1-11-8-13(20)4-7-15(11)23-16(26)9-22-17(27)10-29-19-25-24-18(28-19)12-2-5-14(21)6-3-12/h2-8H,9-10H2,1H3,(H,22,27)(H,23,26)
InChIKeyAAHXAEKJBXVNRO-UHFFFAOYSA-N
MW495.79 g/mol
LogP4.31
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 26712920) has the molecular formula C19H16BrClN4O3S and a molecular weight of 495.79 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID26712920
Molecular FormulaC19H16BrClN4O3S
Molecular Weight495.79 g/mol
Exact Mass493.98
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16BrClN4O3S/c1-11-8-13(20)4-7-15(11)23-16(26)9-22-17(27)10-29-19-25-24-18(28-19)12-2-5-14(21)6-3-12/h2-8H,9-10H2,1H3,(H,22,27)(H,23,26)
InChIKeyAAHXAEKJBXVNRO-UHFFFAOYSA-N
XLogP4.31
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26775100
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 4274045
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126177183
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112782862
N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5021341
2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16537165
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3895144
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 126177615

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 26712920) is N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is AAHXAEKJBXVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4O3S/c1-11-8-13(20)4-7-15(11)23-16(26)9-22-17(27)10-29-19-25-24-18(28-19)12-2-5-14(21)6-3-12/h2-8H,9-10H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 495.79 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 26712920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).