N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C22H29N3O5S — CID 75192421

IUPACN-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(C=Cc2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C22H29N3O5S/c1-14-5-9-18(10-6-14)25-31(27,28)21-13-17(7-11-19(21)29-4)8-12-20-22(23-16(3)26)15(2)24-30-20/h7-8,11-14,18,25H,5-6,9-10H2,1-4H3,(H,23,26)
InChIKeyRFVGQSIXJHJKBI-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.98
Rot. Bonds7

About N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 75192421) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID75192421
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(C=Cc2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C22H29N3O5S/c1-14-5-9-18(10-6-14)25-31(27,28)21-13-17(7-11-19(21)29-4)8-12-20-22(23-16(3)26)15(2)24-30-20/h7-8,11-14,18,25H,5-6,9-10H2,1-4H3,(H,23,26)
InChIKeyRFVGQSIXJHJKBI-UHFFFAOYSA-N
XLogP3.98
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394113
N-[5-[(Z)-2-[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394110
N-[5-[(Z)-2-[3-[(4-fluorophenyl)methylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394130
N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394083
N-[5-[(Z)-2-[3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394004
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394638
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-[5-[(Z)-2-[4-(cycloheptylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839094
N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133219
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
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-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 75192421) is N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(C=Cc2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is RFVGQSIXJHJKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-14-5-9-18(10-6-14)25-31(27,28)21-13-17(7-11-19(21)29-4)8-12-20-22(23-16(3)26)15(2)24-30-20/h7-8,11-14,18,25H,5-6,9-10H2,1-4H3,(H,23,26).
What are the key properties of N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 75192421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).