4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide

C19H17N3O5S — CID 136514551

IUPAC4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1coc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)c2)n1
InChIInChI=1S/C19H17N3O5S/c1-12-10-27-19(21-12)14-3-2-4-15(9-14)22-18(24)13-5-7-16(8-6-13)28(25,26)11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)(H,22,24)
InChIKeyDUUYTAGVRYNYEA-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.16
Rot. Bonds6

About 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide

4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 136514551) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID136514551
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1coc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)c2)n1
InChIInChI=1S/C19H17N3O5S/c1-12-10-27-19(21-12)14-3-2-4-15(9-14)22-18(24)13-5-7-16(8-6-13)28(25,26)11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)(H,22,24)
InChIKeyDUUYTAGVRYNYEA-UHFFFAOYSA-N
XLogP2.16
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30870727
N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
CID 123196688
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
CID 110025780
(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119337943
4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 126788415
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide (CID 136514551) is 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide is Cc1coc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)c2)n1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is DUUYTAGVRYNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-12-10-27-19(21-12)14-3-2-4-15(9-14)22-18(24)13-5-7-16(8-6-13)28(25,26)11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 399.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 136514551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).