N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H21N3O5S — CID 33159779

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H21N3O5S/c1-13-19(20(23-29-13)14-6-4-3-5-7-14)21(25)22-17-12-16(10-11-18(17)28-2)30(26,27)24-15-8-9-15/h3-7,10-12,15,24H,8-9H2,1-2H3,(H,22,25)
InChIKeyGRMYLLWUXDLEAC-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.35
Rot. Bonds7

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 33159779) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID33159779
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H21N3O5S/c1-13-19(20(23-29-13)14-6-4-3-5-7-14)21(25)22-17-12-16(10-11-18(17)28-2)30(26,27)24-15-8-9-15/h3-7,10-12,15,24H,8-9H2,1-2H3,(H,22,25)
InChIKeyGRMYLLWUXDLEAC-UHFFFAOYSA-N
XLogP3.35
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55871753
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 30671113
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561620
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 30671122

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 33159779) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GRMYLLWUXDLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-13-19(20(23-29-13)14-6-4-3-5-7-14)21(25)22-17-12-16(10-11-18(17)28-2)30(26,27)24-15-8-9-15/h3-7,10-12,15,24H,8-9H2,1-2H3,(H,22,25).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 33159779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).