(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

C21H23N3O5S — CID 42426801

IUPAC(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-16-5-9-18(10-6-16)28-15(3)21(25)22-17-7-11-19(12-8-17)30(26,27)24-20-13-14(2)29-23-20/h5-13,15H,4H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyLNCUCTFUKGTOBF-HNNXBMFYSA-N
MW429.50 g/mol
LogP3.75
Rot. Bonds8

About (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 42426801) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID42426801
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-4-16-5-9-18(10-6-16)28-15(3)21(25)22-17-7-11-19(12-8-17)30(26,27)24-20-13-14(2)29-23-20/h5-13,15H,4H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyLNCUCTFUKGTOBF-HNNXBMFYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 3163982
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 25036468
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
CID 53266036
2-(4-ethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54782995
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
2-(3-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 53267157
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate
CID 25049000
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 1122692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 42426801) is (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is LNCUCTFUKGTOBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-16-5-9-18(10-6-16)28-15(3)21(25)22-17-7-11-19(12-8-17)30(26,27)24-20-13-14(2)29-23-20/h5-13,15H,4H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 429.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 42426801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).