5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C23H31N3O4S — CID 56556219

IUPAC5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(N3CCC(C)C3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-5-26(6-2)31(28,29)20-11-12-22(30-4)21(15-20)23(27)24-18-7-9-19(10-8-18)25-14-13-17(3)16-25/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,24,27)
InChIKeyRFRMHCDFMATWOJ-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.82
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56556219) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56556219
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(N3CCC(C)C3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-5-26(6-2)31(28,29)20-11-12-22(30-4)21(15-20)23(27)24-18-7-9-19(10-8-18)25-14-13-17(3)16-25/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,24,27)
InChIKeyRFRMHCDFMATWOJ-UHFFFAOYSA-N
XLogP3.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56555908
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
3,4,5-trimethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 56556324
N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 38859591
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56556219) is 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(N3CCC(C)C3)cc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is RFRMHCDFMATWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-5-26(6-2)31(28,29)20-11-12-22(30-4)21(15-20)23(27)24-18-7-9-19(10-8-18)25-14-13-17(3)16-25/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,24,27).
What are the key properties of 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56556219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).