N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide

C25H26N4O6S2 — CID 2428628

IUPACN-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1
InChIInChI=1S/C25H26N4O6S2/c1-34-23-8-4-3-7-21(23)28-36(30,31)20-13-14-24-22(17-20)27-25(35-24)26-18-9-11-19(12-10-18)37(32,33)29-15-5-2-6-16-29/h3-4,7-14,17,28H,2,5-6,15-16H2,1H3,(H,26,27)
InChIKeyLFORHXDTBCLNLZ-UHFFFAOYSA-N
MW542.64 g/mol
LogP4.56
Rot. Bonds8

About N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide

N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide (PubChem CID 2428628) has the molecular formula C25H26N4O6S2 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide
PubChem CID2428628
Molecular FormulaC25H26N4O6S2
Molecular Weight542.64 g/mol
Exact Mass542.13
IUPAC NameN-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1
InChIInChI=1S/C25H26N4O6S2/c1-34-23-8-4-3-7-21(23)28-36(30,31)20-13-14-24-22(17-20)27-25(35-24)26-18-9-11-19(12-10-18)37(32,33)29-15-5-2-6-16-29/h3-4,7-14,17,28H,2,5-6,15-16H2,1H3,(H,26,27)
InChIKeyLFORHXDTBCLNLZ-UHFFFAOYSA-N
XLogP4.56
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 4962335
5-piperidin-1-ylsulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazol-2-amine
CID 2128630
2-[(1S)-1-cyanoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 8926890
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
1-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680447
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25046162
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41274677
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41254514
2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25037684
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 16533268
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
CID 166348760
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide (CID 2428628) is N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide?
The InChIKey is LFORHXDTBCLNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6S2/c1-34-23-8-4-3-7-21(23)28-36(30,31)20-13-14-24-22(17-20)27-25(35-24)26-18-9-11-19(12-10-18)37(32,33)29-15-5-2-6-16-29/h3-4,7-14,17,28H,2,5-6,15-16H2,1H3,(H,26,27).
What are the key properties of N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide?
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide has a molecular weight of 542.64 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 2428628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).