N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide

C17H16FN3O4S — CID 91781533

IUPACN-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1nc2ccccc2o1)c1cccc(F)c1
InChIInChI=1S/C17H16FN3O4S/c1-26(23,24)21(13-6-4-5-12(18)9-13)11-16(22)19-10-17-20-14-7-2-3-8-15(14)25-17/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyJDCQVGYJFZHCOX-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.05
Rot. Bonds6

About N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide

N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 91781533) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID91781533
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1nc2ccccc2o1)c1cccc(F)c1
InChIInChI=1S/C17H16FN3O4S/c1-26(23,24)21(13-6-4-5-12(18)9-13)11-16(22)19-10-17-20-14-7-2-3-8-15(14)25-17/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyJDCQVGYJFZHCOX-UHFFFAOYSA-N
XLogP2.05
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 50979612
2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 131905962
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7421601
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1305982
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 31254367
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide (CID 91781533) is N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1nc2ccccc2o1)c1cccc(F)c1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is JDCQVGYJFZHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-26(23,24)21(13-6-4-5-12(18)9-13)11-16(22)19-10-17-20-14-7-2-3-8-15(14)25-17/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 91781533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).