N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide

C23H31N3O4S — CID 132673669

IUPACN-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)ccc1OC
InChIInChI=1S/C23H31N3O4S/c1-4-24-23(27)21-14-20(11-12-22(21)30-3)31(28,29)25-15-18-7-9-19(10-8-18)26-13-5-6-17(2)16-26/h7-12,14,17,25H,4-6,13,15-16H2,1-3H3,(H,24,27)
InChIKeyQAYSWADEDCTLRK-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.16
Rot. Bonds8

About N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide

N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide (PubChem CID 132673669) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide
PubChem CID132673669
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)ccc1OC
InChIInChI=1S/C23H31N3O4S/c1-4-24-23(27)21-14-20(11-12-22(21)30-3)31(28,29)25-15-18-7-9-19(10-8-18)26-13-5-6-17(2)16-26/h7-12,14,17,25H,4-6,13,15-16H2,1-3H3,(H,24,27)
InChIKeyQAYSWADEDCTLRK-UHFFFAOYSA-N
XLogP3.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 133210812
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278603
4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
CID 100716391
4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133184701
2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
CID 27260668
methyl 4-methyl-3-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzoate
CID 132665048
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556219
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43894747

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide?
The IUPAC name of N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide (CID 132673669) is N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide?
The canonical SMILES for N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide is CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)ccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide?
The InChIKey is QAYSWADEDCTLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-24-23(27)21-14-20(11-12-22(21)30-3)31(28,29)25-15-18-7-9-19(10-8-18)26-13-5-6-17(2)16-26/h7-12,14,17,25H,4-6,13,15-16H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide?
N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide is sourced from PubChem (CID 132673669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).