N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C20H20ClN3O4S — CID 29202643

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H20ClN3O4S/c1-12(2)19-18(13(3)23-28-19)20(25)22-14-7-6-8-15(11-14)29(26,27)24-17-10-5-4-9-16(17)21/h4-12,24H,1-3H3,(H,22,25)
InChIKeyXOAKLQOQYWIBKS-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.81
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 29202643) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID29202643
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H20ClN3O4S/c1-12(2)19-18(13(3)23-28-19)20(25)22-14-7-6-8-15(11-14)29(26,27)24-17-10-5-4-9-16(17)21/h4-12,24H,1-3H3,(H,22,25)
InChIKeyXOAKLQOQYWIBKS-UHFFFAOYSA-N
XLogP4.81
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-1H-indole-3-carboxamide
CID 26720242
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838869
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 168786225
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[2-[[3-[(2-chlorophenyl)sulfamoyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 39891473
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 29202643) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is XOAKLQOQYWIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-12(2)19-18(13(3)23-28-19)20(25)22-14-7-6-8-15(11-14)29(26,27)24-17-10-5-4-9-16(17)21/h4-12,24H,1-3H3,(H,22,25).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 29202643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).