N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide

C21H25N3O5S — CID 46394643

IUPACN-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(/C=C\c2ccc(S(=O)(=O)NCC3CCCO3)cc2)c1NC(=O)C1CC1
InChIInChI=1S/C21H25N3O5S/c1-14-20(23-21(25)16-7-8-16)19(29-24-14)11-6-15-4-9-18(10-5-15)30(26,27)22-13-17-3-2-12-28-17/h4-6,9-11,16-17,22H,2-3,7-8,12-13H2,1H3,(H,23,25)/b11-6-
InChIKeyYXFULCIBTRFQNR-WDZFZDKYSA-N
MW431.51 g/mol
LogP2.96
Rot. Bonds8

About N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide

N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide (PubChem CID 46394643) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
PubChem CID46394643
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(/C=C\c2ccc(S(=O)(=O)NCC3CCCO3)cc2)c1NC(=O)C1CC1
InChIInChI=1S/C21H25N3O5S/c1-14-20(23-21(25)16-7-8-16)19(29-24-14)11-6-15-4-9-18(10-5-15)30(26,27)22-13-17-3-2-12-28-17/h4-6,9-11,16-17,22H,2-3,7-8,12-13H2,1H3,(H,23,25)/b11-6-
InChIKeyYXFULCIBTRFQNR-WDZFZDKYSA-N
XLogP2.96
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-5-[(Z)-2-[4-(2-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394661
N-[5-[(Z)-2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394632
N-[5-[(Z)-2-[4-(cycloheptylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839094
N-[3-methyl-5-[(Z)-2-[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839275
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839020
N-[5-[(Z)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839324
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide (CID 46394643) is N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide is Cc1noc(/C=C\c2ccc(S(=O)(=O)NCC3CCCO3)cc2)c1NC(=O)C1CC1.
What is the InChIKey of N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The InChIKey is YXFULCIBTRFQNR-WDZFZDKYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-14-20(23-21(25)16-7-8-16)19(29-24-14)11-6-15-4-9-18(10-5-15)30(26,27)22-13-17-3-2-12-28-17/h4-6,9-11,16-17,22H,2-3,7-8,12-13H2,1H3,(H,23,25)/b11-6-.
What are the key properties of N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46394643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).