N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

C24H34N2O5S — CID 55662373

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCOCCOc1ccc(CNC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C24H34N2O5S/c1-16-17(2)19(4)24(20(5)18(16)3)32(28,29)26-12-11-23(27)25-15-21-7-9-22(10-8-21)31-14-13-30-6/h7-10,26H,11-15H2,1-6H3,(H,25,27)
InChIKeyKFGLUDTXMVIXNQ-UHFFFAOYSA-N
MW462.61 g/mol
LogP3.24
Rot. Bonds11

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (PubChem CID 55662373) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
PubChem CID55662373
Molecular FormulaC24H34N2O5S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCOCCOc1ccc(CNC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C24H34N2O5S/c1-16-17(2)19(4)24(20(5)18(16)3)32(28,29)26-12-11-23(27)25-15-21-7-9-22(10-8-21)31-14-13-30-6/h7-10,26H,11-15H2,1-6H3,(H,25,27)
InChIKeyKFGLUDTXMVIXNQ-UHFFFAOYSA-N
XLogP3.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 55858772
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
3-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119176966
N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
CID 47372245
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (CID 55662373) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is COCCOc1ccc(CNC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The InChIKey is KFGLUDTXMVIXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-16-17(2)19(4)24(20(5)18(16)3)32(28,29)26-12-11-23(27)25-15-21-7-9-22(10-8-21)31-14-13-30-6/h7-10,26H,11-15H2,1-6H3,(H,25,27).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide has a molecular weight of 462.61 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55662373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).