N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide

C36H31N3O7S — CID 5064670

IUPACN-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C36H31N3O7S/c40-35(26-9-7-15-30(23-26)45-28-11-3-1-4-12-28)37-33-18-17-32(47(42,43)39-19-21-44-22-20-39)25-34(33)38-36(41)27-10-8-16-31(24-27)46-29-13-5-2-6-14-29/h1-18,23-25H,19-22H2,(H,37,40)(H,38,41)
InChIKeyGVRVTUGOXMZGRJ-UHFFFAOYSA-N
MW649.73 g/mol
LogP6.80
Rot. Bonds10

About N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide

N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide (PubChem CID 5064670) has the molecular formula C36H31N3O7S and a molecular weight of 649.73 g/mol. Its IUPAC name is N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
PubChem CID5064670
Molecular FormulaC36H31N3O7S
Molecular Weight649.73 g/mol
Exact Mass649.19
IUPAC NameN-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C36H31N3O7S/c40-35(26-9-7-15-30(23-26)45-28-11-3-1-4-12-28)37-33-18-17-32(47(42,43)39-19-21-44-22-20-39)25-34(33)38-36(41)27-10-8-16-31(24-27)46-29-13-5-2-6-14-29/h1-18,23-25H,19-22H2,(H,37,40)(H,38,41)
InChIKeyGVRVTUGOXMZGRJ-UHFFFAOYSA-N
XLogP6.80
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.73
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 35979257
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
CID 17134329
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 22107894
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544

Frequently Asked Questions

What is the IUPAC name of N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide?
The IUPAC name of N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide (CID 5064670) is N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide?
The InChIKey is GVRVTUGOXMZGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3O7S/c40-35(26-9-7-15-30(23-26)45-28-11-3-1-4-12-28)37-33-18-17-32(47(42,43)39-19-21-44-22-20-39)25-34(33)38-36(41)27-10-8-16-31(24-27)46-29-13-5-2-6-14-29/h1-18,23-25H,19-22H2,(H,37,40)(H,38,41).
What are the key properties of N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide?
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide has a molecular weight of 649.73 g/mol, XLogP of 6.80, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 5064670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).