N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C15H12BrN3O4S2 — CID 60579145

IUPACN-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H12BrN3O4S2/c1-9-12(8-17-23-9)15(20)18-10-3-2-4-11(7-10)19-25(21,22)14-6-5-13(16)24-14/h2-8,19H,1H3,(H,18,20)
InChIKeyRVRDXHQFPGCYHS-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 60579145) has the molecular formula C15H12BrN3O4S2 and a molecular weight of 442.32 g/mol. Its IUPAC name is N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID60579145
Molecular FormulaC15H12BrN3O4S2
Molecular Weight442.32 g/mol
Exact Mass440.95
IUPAC NameN-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H12BrN3O4S2/c1-9-12(8-17-23-9)15(20)18-10-3-2-4-11(7-10)19-25(21,22)14-6-5-13(16)24-14/h2-8,19H,1H3,(H,18,20)
InChIKeyRVRDXHQFPGCYHS-UHFFFAOYSA-N
XLogP3.86
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689679
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689645
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
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CID 18084682
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 60579145) is N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RVRDXHQFPGCYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O4S2/c1-9-12(8-17-23-9)15(20)18-10-3-2-4-11(7-10)19-25(21,22)14-6-5-13(16)24-14/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60579145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).