4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H28N2O6S — CID 55408011

IUPAC4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C21H28N2O6S/c1-16-5-8-18(9-6-16)23-30(25,26)20-15-17(7-10-19(20)28-3)21(24)22-11-4-12-29-14-13-27-2/h5-10,15,23H,4,11-14H2,1-3H3,(H,22,24)
InChIKeyRVJZRPNQOUOFIX-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.59
Rot. Bonds12

About 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55408011) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55408011
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C21H28N2O6S/c1-16-5-8-18(9-6-16)23-30(25,26)20-15-17(7-10-19(20)28-3)21(24)22-11-4-12-29-14-13-27-2/h5-10,15,23H,4,11-14H2,1-3H3,(H,22,24)
InChIKeyRVJZRPNQOUOFIX-UHFFFAOYSA-N
XLogP2.59
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 55408011) is 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is COCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RVJZRPNQOUOFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-16-5-8-18(9-6-16)23-30(25,26)20-15-17(7-10-19(20)28-3)21(24)22-11-4-12-29-14-13-27-2/h5-10,15,23H,4,11-14H2,1-3H3,(H,22,24).
What are the key properties of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 2.59, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55408011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).