2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C17H16N2O3S — CID 11944536

IUPAC2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCC[S@](=O)c1ccccc1C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C17H16N2O3S/c1-3-23(21)16-7-5-4-6-13(16)17(20)19-12-8-9-15-14(10-12)18-11(2)22-15/h4-10H,3H2,1-2H3,(H,19,20)/t23-/m0/s1
InChIKeyHVLBGUKUSGMXKW-QHCPKHFHSA-N
MW328.39 g/mol
LogP3.52
Rot. Bonds4

About 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 11944536) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID11944536
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCC[S@](=O)c1ccccc1C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C17H16N2O3S/c1-3-23(21)16-7-5-4-6-13(16)17(20)19-12-8-9-15-14(10-12)18-11(2)22-15/h4-10H,3H2,1-2H3,(H,19,20)/t23-/m0/s1
InChIKeyHVLBGUKUSGMXKW-QHCPKHFHSA-N
XLogP3.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490452
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 43020280
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 11944536) is 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is CC[S@](=O)c1ccccc1C(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is HVLBGUKUSGMXKW-QHCPKHFHSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-23(21)16-7-5-4-6-13(16)17(20)19-12-8-9-15-14(10-12)18-11(2)22-15/h4-10H,3H2,1-2H3,(H,19,20)/t23-/m0/s1.
What are the key properties of 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 11944536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).