N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide

C21H23N3O5S — CID 3163982

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-19(28-17-9-5-14(2)6-10-17)21(25)22-16-7-11-18(12-8-16)30(26,27)24-20-13-15(3)29-23-20/h5-13,19H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyYVOGANSEPCSZJH-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.89
Rot. Bonds8

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide (PubChem CID 3163982) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
PubChem CID3163982
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-19(28-17-9-5-14(2)6-10-17)21(25)22-16-7-11-18(12-8-16)30(26,27)24-20-13-15(3)29-23-20/h5-13,19H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyYVOGANSEPCSZJH-UHFFFAOYSA-N
XLogP3.89
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024
2-(4-fluorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885925
(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 42426801
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate
CID 25049000
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
CID 92671713
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)butanamide
CID 4928483
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide (CID 3163982) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is YVOGANSEPCSZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-19(28-17-9-5-14(2)6-10-17)21(25)22-16-7-11-18(12-8-16)30(26,27)24-20-13-15(3)29-23-20/h5-13,19H,4H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 429.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 3163982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).