4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide

C22H25F2N3O6S — CID 3979887

IUPAC4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H25F2N3O6S/c23-22(24)33-17-3-1-16(2-4-17)21(28)25-19-15-18(34(29,30)27-9-13-32-14-10-27)5-6-20(19)26-7-11-31-12-8-26/h1-6,15,22H,7-14H2,(H,25,28)
InChIKeyVPPSZXYOZPEUPC-UHFFFAOYSA-N
MW497.52 g/mol
LogP2.40
Rot. Bonds7

About 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide

4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3979887) has the molecular formula C22H25F2N3O6S and a molecular weight of 497.52 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3979887
Molecular FormulaC22H25F2N3O6S
Molecular Weight497.52 g/mol
Exact Mass497.14
IUPAC Name4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H25F2N3O6S/c23-22(24)33-17-3-1-16(2-4-17)21(28)25-19-15-18(34(29,30)27-9-13-32-14-10-27)5-6-20(19)26-7-11-31-12-8-26/h1-6,15,22H,7-14H2,(H,25,28)
InChIKeyVPPSZXYOZPEUPC-UHFFFAOYSA-N
XLogP2.40
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(difluoromethoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 24980976
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 35979257
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55329357
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide
CID 55369390
2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
CID 31010638
2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 43077352
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 3979887) is 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is VPPSZXYOZPEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O6S/c23-22(24)33-17-3-1-16(2-4-17)21(28)25-19-15-18(34(29,30)27-9-13-32-14-10-27)5-6-20(19)26-7-11-31-12-8-26/h1-6,15,22H,7-14H2,(H,25,28).
What are the key properties of 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 497.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3979887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).