N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide

C22H25N3O5S — CID 985941

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)c1C
InChIInChI=1S/C22H25N3O5S/c1-14(2)17-5-9-19(10-6-17)29-13-21(26)23-18-7-11-20(12-8-18)31(27,28)25-22-15(3)16(4)24-30-22/h5-12,14,25H,13H2,1-4H3,(H,23,26)
InChIKeyLMSAMDYKTGGOBM-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.23
Rot. Bonds8

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 985941) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID985941
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)c1C
InChIInChI=1S/C22H25N3O5S/c1-14(2)17-5-9-19(10-6-17)29-13-21(26)23-18-7-11-20(12-8-18)31(27,28)25-22-15(3)16(4)24-30-22/h5-12,14,25H,13H2,1-4H3,(H,23,26)
InChIKeyLMSAMDYKTGGOBM-UHFFFAOYSA-N
XLogP4.23
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-methoxy-benzamide
CID 655804
N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamide
CID 978533
3-(3,4-dimethoxyphenyl)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acrylamide
CID 1012003
4''-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10525034
4''-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10620185
4''-Benzyloxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10836583
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-m-tolyloxy-butyramide
CID 649495
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-4-p-tolyloxy-butyramide
CID 652041
2-(2-tert-butylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 993058
2-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1015460
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2-(2,3-dimethyl-phenoxy)-acetamide
CID 1078109
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(4-ethylphenoxy)acetamide
CID 1107619

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 985941) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is LMSAMDYKTGGOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-14(2)17-5-9-19(10-6-17)29-13-21(26)23-18-7-11-20(12-8-18)31(27,28)25-22-15(3)16(4)24-30-22/h5-12,14,25H,13H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 985941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).