N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide

C27H39N3O6S — CID 133213319

IUPACN-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)C(C)C(=O)NCCCOCC)cc1
InChIInChI=1S/C27H39N3O6S/c1-5-29-37(33,34)25-15-10-22(11-16-25)12-17-26(31)30(20-23-8-13-24(35-4)14-9-23)21(3)27(32)28-18-7-19-36-6-2/h8-11,13-16,21,29H,5-7,12,17-20H2,1-4H3,(H,28,32)
InChIKeyRCUACPCYLJBBSY-UHFFFAOYSA-N
MW533.69 g/mol
LogP2.89
Rot. Bonds16

About N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide

N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 133213319) has the molecular formula C27H39N3O6S and a molecular weight of 533.69 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID133213319
Molecular FormulaC27H39N3O6S
Molecular Weight533.69 g/mol
Exact Mass533.26
IUPAC NameN-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)C(C)C(=O)NCCCOCC)cc1
InChIInChI=1S/C27H39N3O6S/c1-5-29-37(33,34)25-15-10-22(11-16-25)12-17-26(31)30(20-23-8-13-24(35-4)14-9-23)21(3)27(32)28-18-7-19-36-6-2/h8-11,13-16,21,29H,5-7,12,17-20H2,1-4H3,(H,28,32)
InChIKeyRCUACPCYLJBBSY-UHFFFAOYSA-N
XLogP2.89
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.69
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-ethoxypropyl)propanamide
CID 133149191
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 133149680
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
CID 133148681
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236299
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 133149662
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-pentylpropanamide
CID 133149701
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133149679
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-methylbutyl)propanamide
CID 133149196
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
2-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 133213419
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide (CID 133213319) is N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)C(C)C(=O)NCCCOCC)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is RCUACPCYLJBBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O6S/c1-5-29-37(33,34)25-15-10-22(11-16-25)12-17-26(31)30(20-23-8-13-24(35-4)14-9-23)21(3)27(32)28-18-7-19-36-6-2/h8-11,13-16,21,29H,5-7,12,17-20H2,1-4H3,(H,28,32).
What are the key properties of N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 533.69 g/mol, XLogP of 2.89, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 133213319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).