2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C20H25N3O4S — CID 43013876

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H25N3O4S/c1-13-17(14(2)27-23-13)11-28-12-19(24)22-18-8-4-3-7-16(18)20(25)21-10-15-6-5-9-26-15/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyQKJGZUUJSZNMNG-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.07
Rot. Bonds8

About 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43013876) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43013876
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H25N3O4S/c1-13-17(14(2)27-23-13)11-28-12-19(24)22-18-8-4-3-7-16(18)20(25)21-10-15-6-5-9-26-15/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyQKJGZUUJSZNMNG-UHFFFAOYSA-N
XLogP3.07
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Related Compounds

methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46616572
2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 43062564
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 43013876) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QKJGZUUJSZNMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-17(14(2)27-23-13)11-28-12-19(24)22-18-8-4-3-7-16(18)20(25)21-10-15-6-5-9-26-15/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43013876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).