N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C20H26N4O5S — CID 33435266

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N4O5S/c1-15-3-5-16(6-4-15)13-22-20(26)23-14-19(25)21-11-12-24-30(27,28)18-9-7-17(29-2)8-10-18/h3-10,24H,11-14H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyOMRUFIIOHOLCPF-UHFFFAOYSA-N
MW434.52 g/mol
LogP0.90
Rot. Bonds10

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 33435266) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID33435266
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N4O5S/c1-15-3-5-16(6-4-15)13-22-20(26)23-14-19(25)21-11-12-24-30(27,28)18-9-7-17(29-2)8-10-18/h3-10,24H,11-14H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyOMRUFIIOHOLCPF-UHFFFAOYSA-N
XLogP0.90
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 50.90
H-Bond Donors ≤ 54
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-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111169478
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100791083
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111182474
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 33435266) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is COc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is OMRUFIIOHOLCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-15-3-5-16(6-4-15)13-22-20(26)23-14-19(25)21-11-12-24-30(27,28)18-9-7-17(29-2)8-10-18/h3-10,24H,11-14H2,1-2H3,(H,21,25)(H2,22,23,26).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 434.52 g/mol, XLogP of 0.90, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 33435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).