N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H15ClN4O4S2 — CID 2662131

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C19H15ClN4O4S2/c1-30(26,27)11-6-7-14(20)16(8-11)22-17(25)10-29-19-24-23-18(28-19)13-9-21-15-5-3-2-4-12(13)15/h2-9,21H,10H2,1H3,(H,22,25)
InChIKeyULVNBKDRIDXSMA-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.01
Rot. Bonds6

About N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2662131) has the molecular formula C19H15ClN4O4S2 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2662131
Molecular FormulaC19H15ClN4O4S2
Molecular Weight462.94 g/mol
Exact Mass462.02
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C19H15ClN4O4S2/c1-30(26,27)11-6-7-14(20)16(8-11)22-17(25)10-29-19-24-23-18(28-19)13-9-21-15-5-3-2-4-12(13)15/h2-9,21H,10H2,1H3,(H,22,25)
InChIKeyULVNBKDRIDXSMA-UHFFFAOYSA-N
XLogP4.01
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2348049
N-(2,3-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135763691
N-(2,6-dichloro-3-methylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135710185
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 135710113
N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655
N-(2,5-difluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636223
N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2347209
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
N-(4-bromo-2-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135710173
N-(2,4-dimethoxyphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636221
N-(3-chloro-4-cyanophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2103854
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2662131) is N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ULVNBKDRIDXSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4S2/c1-30(26,27)11-6-7-14(20)16(8-11)22-17(25)10-29-19-24-23-18(28-19)13-9-21-15-5-3-2-4-12(13)15/h2-9,21H,10H2,1H3,(H,22,25).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 462.94 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2662131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).