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

C20H21N3O5S — CID 53133157

IUPACN-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21N3O5S/c1-12-5-8-16(9-6-12)23-29(25,26)18-11-15(7-10-17(18)27-4)19-13(2)22-28-20(19)21-14(3)24/h5-11,23H,1-4H3,(H,21,24)
InChIKeyVFAKSMJDIPGEDN-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.73
Rot. Bonds6

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

N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53133157) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID53133157
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21N3O5S/c1-12-5-8-16(9-6-12)23-29(25,26)18-11-15(7-10-17(18)27-4)19-13(2)22-28-20(19)21-14(3)24/h5-11,23H,1-4H3,(H,21,24)
InChIKeyVFAKSMJDIPGEDN-UHFFFAOYSA-N
XLogP3.73
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
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-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133245
N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133219
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132969
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
CID 25049417

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 53133157) is N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is VFAKSMJDIPGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-12-5-8-16(9-6-12)23-29(25,26)18-11-15(7-10-17(18)27-4)19-13(2)22-28-20(19)21-14(3)24/h5-11,23H,1-4H3,(H,21,24).
What are the key properties of N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).