N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide

C20H21N3O3S2 — CID 57123699

IUPACN-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide
SMILESCc1nc(-c2ccc(-c3ccc([C@@]4(CC(=O)NO)CCCCS4)s3)cc2)no1
InChIInChI=1S/C20H21N3O3S2/c1-13-21-19(23-26-13)15-6-4-14(5-7-15)16-8-9-17(28-16)20(12-18(24)22-25)10-2-3-11-27-20/h4-9,25H,2-3,10-12H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyDDJVQSMRDSVCKU-FQEVSTJZSA-N
MW415.54 g/mol
LogP4.78
Rot. Bonds5

About N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide

N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide (PubChem CID 57123699) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide
PubChem CID57123699
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide
SMILESCc1nc(-c2ccc(-c3ccc([C@@]4(CC(=O)NO)CCCCS4)s3)cc2)no1
InChIInChI=1S/C20H21N3O3S2/c1-13-21-19(23-26-13)15-6-4-14(5-7-15)16-8-9-17(28-16)20(12-18(24)22-25)10-2-3-11-27-20/h4-9,25H,2-3,10-12H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyDDJVQSMRDSVCKU-FQEVSTJZSA-N
XLogP4.78
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide?
The IUPAC name of N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide (CID 57123699) is N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide is Cc1nc(-c2ccc(-c3ccc([C@@]4(CC(=O)NO)CCCCS4)s3)cc2)no1.
What is the InChIKey of N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide?
The InChIKey is DDJVQSMRDSVCKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-13-21-19(23-26-13)15-6-4-14(5-7-15)16-8-9-17(28-16)20(12-18(24)22-25)10-2-3-11-27-20/h4-9,25H,2-3,10-12H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide?
N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2S)-2-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]thian-2-yl]acetamide is sourced from PubChem (CID 57123699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).