N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide

C19H18ClN3O5S — CID 53133158

IUPACN-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O5S/c1-11-18(19(28-22-11)21-12(2)24)13-8-9-16(27-3)17(10-13)29(25,26)23-15-7-5-4-6-14(15)20/h4-10,23H,1-3H3,(H,21,24)
InChIKeyPACXKMJQZIAYMH-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.07
Rot. Bonds6

About N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide

N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53133158) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID53133158
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC NameN-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O5S/c1-11-18(19(28-22-11)21-12(2)24)13-8-9-16(27-3)17(10-13)29(25,26)23-15-7-5-4-6-14(15)20/h4-10,23H,1-3H3,(H,21,24)
InChIKeyPACXKMJQZIAYMH-UHFFFAOYSA-N
XLogP4.07
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(N-(3,4-Dimethylisoxazol-5-yl)sulfamoyl)phenyl)-4-methoxybenzamide
CID 655804
N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamide
CID 978533
N-{4-[2-Methoxy-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonamido]phenyl}acetamide
CID 24790954
3-(2,6-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134142323
3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134152920
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2-methoxy-benzamide
CID 2788467
N-(2-Chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-YL)-2-methoxybenzene-1-sulfonamide
CID 53054236
5-(3,5-Dimethyl-1,2-oxazol-4-YL)-2-methoxy-N-phenylbenzene-1-sulfonamide
CID 53054241
5-(3,5-Dimethyl-1,2-oxazol-4-YL)-2-methoxy-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 53054191
N-[3-(4-methoxy-3-sulfamoylphenyl)-1,2-oxazol-5-yl]acetamide
CID 137642047
N-[4-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1,2-oxazol-5-yl]acetamide
CID 137652373
N-{5-[(1Z)-2-{3-[(4-Chlorophenyl)sulfamoyl]-4-methoxyphenyl}ethenyl]-3-methyl-1,2-oxazol-4-YL}acetamide
CID 46394080

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 53133158) is N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is PACXKMJQZIAYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-11-18(19(28-22-11)21-12(2)24)13-8-9-16(27-3)17(10-13)29(25,26)23-15-7-5-4-6-14(15)20/h4-10,23H,1-3H3,(H,21,24).
What are the key properties of N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 435.89 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).