N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide

C25H34N4O4S — CID 68886770

IUPACN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1
InChIInChI=1S/C25H34N4O4S/c1-19-17-22(33-4)12-13-23(19)34(31,32)29(3)16-6-5-7-24(30)28(2)18-20-8-10-21(11-9-20)25-26-14-15-27-25/h8-13,17H,5-7,14-16,18H2,1-4H3,(H,26,27)
InChIKeyZCVJTIZTZGZOGT-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.80
Rot. Bonds11

About N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide

N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide (PubChem CID 68886770) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide
PubChem CID68886770
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1
InChIInChI=1S/C25H34N4O4S/c1-19-17-22(33-4)12-13-23(19)34(31,32)29(3)16-6-5-7-24(30)28(2)18-20-8-10-21(11-9-20)25-26-14-15-27-25/h8-13,17H,5-7,14-16,18H2,1-4H3,(H,26,27)
InChIKeyZCVJTIZTZGZOGT-UHFFFAOYSA-N
XLogP2.80
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide?
The IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide (CID 68886770) is N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide.
What is the SMILES notation for N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide?
The canonical SMILES for N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide is COc1ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1.
What is the InChIKey of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide?
The InChIKey is ZCVJTIZTZGZOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-19-17-22(33-4)12-13-23(19)34(31,32)29(3)16-6-5-7-24(30)28(2)18-20-8-10-21(11-9-20)25-26-14-15-27-25/h8-13,17H,5-7,14-16,18H2,1-4H3,(H,26,27).
What are the key properties of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide?
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide has a molecular weight of 486.64 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-5-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]-N-methylpentanamide is sourced from PubChem (CID 68886770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).