(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C15H12BrN3O2S2 — CID 8556634

IUPAC(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2S2/c1-9(13(20)17-11-5-2-4-10(16)8-11)23-15-19-18-14(21-15)12-6-3-7-22-12/h2-9H,1H3,(H,17,20)/t9-/m1/s1
InChIKeyZXNVTNKVELSMSK-SECBINFHSA-N
MW410.32 g/mol
LogP4.68
Rot. Bonds5

About (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 8556634) has the molecular formula C15H12BrN3O2S2 and a molecular weight of 410.32 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID8556634
Molecular FormulaC15H12BrN3O2S2
Molecular Weight410.32 g/mol
Exact Mass408.96
IUPAC Name(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2S2/c1-9(13(20)17-11-5-2-4-10(16)8-11)23-15-19-18-14(21-15)12-6-3-7-22-12/h2-9H,1H3,(H,17,20)/t9-/m1/s1
InChIKeyZXNVTNKVELSMSK-SECBINFHSA-N
XLogP4.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 31281892
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CID 7832101
(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 40616881
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanehydrazide
CID 63591351
(2S)-N-(2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592979
2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
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N-(3-chloro-2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78723149
(2R)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7981748
(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7981765
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 18281191
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592868
N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 8556634) is (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is ZXNVTNKVELSMSK-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrN3O2S2/c1-9(13(20)17-11-5-2-4-10(16)8-11)23-15-19-18-14(21-15)12-6-3-7-22-12/h2-9H,1H3,(H,17,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 410.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 8556634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).