5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

C24H27N3O4S — CID 51658233

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C24H27N3O4S/c1-4-26-32(29,30)22-12-7-17(2)23(14-22)24(28)27-18(3)20-8-10-21(11-9-20)31-16-19-6-5-13-25-15-19/h5-15,18,26H,4,16H2,1-3H3,(H,27,28)/t18-/m0/s1
InChIKeyXFEGVFWIDUQSFW-SFHVURJKSA-N
MW453.56 g/mol
LogP3.76
Rot. Bonds9

About 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 51658233) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID51658233
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C24H27N3O4S/c1-4-26-32(29,30)22-12-7-17(2)23(14-22)24(28)27-18(3)20-8-10-21(11-9-20)31-16-19-6-5-13-25-15-19/h5-15,18,26H,4,16H2,1-3H3,(H,27,28)/t18-/m0/s1
InChIKeyXFEGVFWIDUQSFW-SFHVURJKSA-N
XLogP3.76
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide
CID 55698190
methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 55838885
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24625202
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (CID 51658233) is 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is XFEGVFWIDUQSFW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-4-26-32(29,30)22-12-7-17(2)23(14-22)24(28)27-18(3)20-8-10-21(11-9-20)31-16-19-6-5-13-25-15-19/h5-15,18,26H,4,16H2,1-3H3,(H,27,28)/t18-/m0/s1.
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 453.56 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 51658233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).