4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide

C27H31N3O7S2 — CID 43875221

IUPAC4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C27H31N3O7S2/c1-36-25-12-9-23(19-26(25)38(32,33)29-14-13-21-5-3-2-4-6-21)27(31)28-20-22-7-10-24(11-8-22)39(34,35)30-15-17-37-18-16-30/h2-12,19,29H,13-18,20H2,1H3,(H,28,31)
InChIKeyXKEDBUFPSNNIFC-UHFFFAOYSA-N
MW573.69 g/mol
LogP2.17
Rot. Bonds11

About 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide

4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide (PubChem CID 43875221) has the molecular formula C27H31N3O7S2 and a molecular weight of 573.69 g/mol. Its IUPAC name is 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
PubChem CID43875221
Molecular FormulaC27H31N3O7S2
Molecular Weight573.69 g/mol
Exact Mass573.16
IUPAC Name4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C27H31N3O7S2/c1-36-25-12-9-23(19-26(25)38(32,33)29-14-13-21-5-3-2-4-6-21)27(31)28-20-22-7-10-24(11-8-22)39(34,35)30-15-17-37-18-16-30/h2-12,19,29H,13-18,20H2,1H3,(H,28,31)
InChIKeyXKEDBUFPSNNIFC-UHFFFAOYSA-N
XLogP2.17
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.69
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
CID 30126350
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55781546
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126282
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874647
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide (CID 43875221) is 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide is COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is XKEDBUFPSNNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O7S2/c1-36-25-12-9-23(19-26(25)38(32,33)29-14-13-21-5-3-2-4-6-21)27(31)28-20-22-7-10-24(11-8-22)39(34,35)30-15-17-37-18-16-30/h2-12,19,29H,13-18,20H2,1H3,(H,28,31).
What are the key properties of 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide?
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 573.69 g/mol, XLogP of 2.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 43875221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).