N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H13N3O2S3 — CID 124878438

IUPACN-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccc2nsnc2c1
InChIInChI=1S/C17H13N3O2S3/c21-16(11-3-4-13-14(8-11)20-25-19-13)18-10-17(22,12-5-7-23-9-12)15-2-1-6-24-15/h1-9,22H,10H2,(H,18,21)/t17-/m0/s1
InChIKeyYLNFXRKAXXWMDT-KRWDZBQOSA-N
MW387.51 g/mol
LogP3.48
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 124878438) has the molecular formula C17H13N3O2S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID124878438
Molecular FormulaC17H13N3O2S3
Molecular Weight387.51 g/mol
Exact Mass387.02
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccc2nsnc2c1
InChIInChI=1S/C17H13N3O2S3/c21-16(11-3-4-13-14(8-11)20-25-19-13)18-10-17(22,12-5-7-23-9-12)15-2-1-6-24-15/h1-9,22H,10H2,(H,18,21)/t17-/m0/s1
InChIKeyYLNFXRKAXXWMDT-KRWDZBQOSA-N
XLogP3.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide with MolForge

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Related Compounds

4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121170284
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
CID 121170123
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 124878438) is N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccc2nsnc2c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is YLNFXRKAXXWMDT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13N3O2S3/c21-16(11-3-4-13-14(8-11)20-25-19-13)18-10-17(22,12-5-7-23-9-12)15-2-1-6-24-15/h1-9,22H,10H2,(H,18,21)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 124878438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).