N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

C20H19N3O3S — CID 93060275

IUPACN-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2nsc3ccccc23)c1
InChIInChI=1S/C20H19N3O3S/c24-19(21-12-15-7-4-10-26-15)13-5-3-6-14(11-13)22-20(25)18-16-8-1-2-9-17(16)27-23-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyVTLLGLKBOTWWQR-HNNXBMFYSA-N
MW381.46 g/mol
LogP3.46
Rot. Bonds5

About N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 93060275) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
PubChem CID93060275
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2nsc3ccccc23)c1
InChIInChI=1S/C20H19N3O3S/c24-19(21-12-15-7-4-10-26-15)13-5-3-6-14(11-13)22-20(25)18-16-8-1-2-9-17(16)27-23-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyVTLLGLKBOTWWQR-HNNXBMFYSA-N
XLogP3.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329782
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787348
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide (CID 93060275) is N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2nsc3ccccc23)c1.
What is the InChIKey of N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is VTLLGLKBOTWWQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(21-12-15-7-4-10-26-15)13-5-3-6-14(11-13)22-20(25)18-16-8-1-2-9-17(16)27-23-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 93060275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).