N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide

C17H21N3O5S — CID 53133219

IUPACN-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H21N3O5S/c1-4-13-16(17(25-19-13)18-10(2)21)11-5-8-14(24-3)15(9-11)26(22,23)20-12-6-7-12/h5,8-9,12,20H,4,6-7H2,1-3H3,(H,18,21)
InChIKeyGBQCWSLAQDFLHE-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.31
Rot. Bonds7

About N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide

N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53133219) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
PubChem CID53133219
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H21N3O5S/c1-4-13-16(17(25-19-13)18-10(2)21)11-5-8-14(24-3)15(9-11)26(22,23)20-12-6-7-12/h5,8-9,12,20H,4,6-7H2,1-3H3,(H,18,21)
InChIKeyGBQCWSLAQDFLHE-UHFFFAOYSA-N
XLogP2.31
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133245
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 53133193
5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride
CID 53212039
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133079
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133348
N-[3-ethyl-4-[3-[(3-ethylphenyl)sulfamoyl]-4-methylphenyl]-1,2-oxazol-5-yl]acetamide
CID 53133320

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide (CID 53133219) is N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide is CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is GBQCWSLAQDFLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-4-13-16(17(25-19-13)18-10(2)21)11-5-8-14(24-3)15(9-11)26(22,23)20-12-6-7-12/h5,8-9,12,20H,4,6-7H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).