3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide

C28H33N3O7S — CID 4849988

IUPAC3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C28H33N3O7S/c1-35-23-9-6-21(7-10-23)30-39(33,34)27-19-22(8-11-24(27)31-14-16-38-17-15-31)29-28(32)13-5-20-4-12-25(36-2)26(18-20)37-3/h4,6-12,18-19,30H,5,13-17H2,1-3H3,(H,29,32)
InChIKeyLORQAMPUISCWOM-UHFFFAOYSA-N
MW555.65 g/mol
LogP3.92
Rot. Bonds11

About 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide (PubChem CID 4849988) has the molecular formula C28H33N3O7S and a molecular weight of 555.65 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
PubChem CID4849988
Molecular FormulaC28H33N3O7S
Molecular Weight555.65 g/mol
Exact Mass555.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C28H33N3O7S/c1-35-23-9-6-21(7-10-23)30-39(33,34)27-19-22(8-11-24(27)31-14-16-38-17-15-31)29-28(32)13-5-20-4-12-25(36-2)26(18-20)37-3/h4,6-12,18-19,30H,5,13-17H2,1-3H3,(H,29,32)
InChIKeyLORQAMPUISCWOM-UHFFFAOYSA-N
XLogP3.92
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.65
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 4853933
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 3933606
2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4831172
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
CID 4834938
N-[3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-pyrrolidin-1-ylphenyl]heptanamide
CID 46110215
ethyl 4-[3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 46110216
1-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-(pentanoylamino)phenyl]piperidine-4-carboxamide
CID 46110521
4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
CID 110612957
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 22109680
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
2-chloro-N-[3-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylanilino]-3-oxopropyl]benzamide
CID 4831082
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide (CID 4849988) is 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc2N2CCOCC2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide?
The InChIKey is LORQAMPUISCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O7S/c1-35-23-9-6-21(7-10-23)30-39(33,34)27-19-22(8-11-24(27)31-14-16-38-17-15-31)29-28(32)13-5-20-4-12-25(36-2)26(18-20)37-3/h4,6-12,18-19,30H,5,13-17H2,1-3H3,(H,29,32).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide has a molecular weight of 555.65 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide is sourced from PubChem (CID 4849988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).