N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide

C23H32N2O6S — CID 46421231

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OCCC
InChIInChI=1S/C23H32N2O6S/c1-6-13-30-21-12-11-18(16-22(21)31-14-7-2)17(3)24-23(26)19-9-8-10-20(15-19)32(27,28)25(4)29-5/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyAEUDWQXYDUNWRT-UHFFFAOYSA-N
MW464.58 g/mol
LogP3.94
Rot. Bonds12

About N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide

N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 46421231) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID46421231
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OCCC
InChIInChI=1S/C23H32N2O6S/c1-6-13-30-21-12-11-18(16-22(21)31-14-7-2)17(3)24-23(26)19-9-8-10-20(15-19)32(27,28)25(4)29-5/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyAEUDWQXYDUNWRT-UHFFFAOYSA-N
XLogP3.94
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55693616
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55747175
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
CID 51204934
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 46421231) is N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide is CCCOc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OCCC.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is AEUDWQXYDUNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-6-13-30-21-12-11-18(16-22(21)31-14-7-2)17(3)24-23(26)19-9-8-10-20(15-19)32(27,28)25(4)29-5/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 464.58 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 46421231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).