N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide

C24H27N3O3S — CID 55366801

IUPACN-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1
InChIInChI=1S/C24H27N3O3S/c1-4-20-8-10-21(11-9-20)16-27(17-22-6-5-13-25-15-22)31(29,30)24-14-23(26-19(3)28)12-7-18(24)2/h5-15H,4,16-17H2,1-3H3,(H,26,28)
InChIKeyZOWIYFXRHHWCNF-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.30
Rot. Bonds8

About N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide

N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 55366801) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID55366801
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1
InChIInChI=1S/C24H27N3O3S/c1-4-20-8-10-21(11-9-20)16-27(17-22-6-5-13-25-15-22)31(29,30)24-14-23(26-19(3)28)12-7-18(24)2/h5-15H,4,16-17H2,1-3H3,(H,26,28)
InChIKeyZOWIYFXRHHWCNF-UHFFFAOYSA-N
XLogP4.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
N-[3-[bis(furan-2-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 55365023
N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 26531319
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350
N-hydroxy-4-[[pyridin-3-ylmethyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155144635
2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
2-[(5-acetamido-2-methylphenyl)sulfonyl-methylamino]acetic acid
CID 60651397

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide (CID 55366801) is N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide is CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1.
What is the InChIKey of N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is ZOWIYFXRHHWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-4-20-8-10-21(11-9-20)16-27(17-22-6-5-13-25-15-22)31(29,30)24-14-23(26-19(3)28)12-7-18(24)2/h5-15H,4,16-17H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide?
N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 55366801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).