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

C14H17N3O4S — CID 697515

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-4-14(18)15-11-5-7-12(8-6-11)22(19,20)17-13-9-10(2)21-16-13/h5-9H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMWILADYIHWAIPF-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.52
Rot. Bonds6

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

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide (PubChem CID 697515) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
PubChem CID697515
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-4-14(18)15-11-5-7-12(8-6-11)22(19,20)17-13-9-10(2)21-16-13/h5-9H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMWILADYIHWAIPF-UHFFFAOYSA-N
XLogP2.52
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 25049673
2-methoxyethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobutanoate
CID 17339082
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 2431427
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-naphthalen-2-ylacetamide
CID 53255376
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2130230
[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4108465
3-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 1406358

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide (CID 697515) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide is CCCC(=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]butanamide?
The InChIKey is MWILADYIHWAIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-4-14(18)15-11-5-7-12(8-6-11)22(19,20)17-13-9-10(2)21-16-13/h5-9H,3-4H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 323.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 697515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).