5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide

C25H38N4O4S — CID 15859753

IUPAC5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide
SMILESCCS(=O)(=O)N(CCCCC(=O)NCCCn1ccnc1)C1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C25H38N4O4S/c1-5-34(31,32)29(22-18-25(3,4)33-23-11-10-20(2)17-21(22)23)15-7-6-9-24(30)27-12-8-14-28-16-13-26-19-28/h10-11,13,16-17,19,22H,5-9,12,14-15,18H2,1-4H3,(H,27,30)
InChIKeyMDQBBBHQHLVRCT-UHFFFAOYSA-N
MW490.67 g/mol
LogP3.82
Rot. Bonds12

About 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide

5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide (PubChem CID 15859753) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide
PubChem CID15859753
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC Name5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide
SMILESCCS(=O)(=O)N(CCCCC(=O)NCCCn1ccnc1)C1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C25H38N4O4S/c1-5-34(31,32)29(22-18-25(3,4)33-23-11-10-20(2)17-21(22)23)15-7-6-9-24(30)27-12-8-14-28-16-13-26-19-28/h10-11,13,16-17,19,22H,5-9,12,14-15,18H2,1-4H3,(H,27,30)
InChIKeyMDQBBBHQHLVRCT-UHFFFAOYSA-N
XLogP3.82
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide 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 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide?
The IUPAC name of 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide (CID 15859753) is 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide.
What is the SMILES notation for 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide?
The canonical SMILES for 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide is CCS(=O)(=O)N(CCCCC(=O)NCCCn1ccnc1)C1CC(C)(C)Oc2ccc(C)cc21.
What is the InChIKey of 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide?
The InChIKey is MDQBBBHQHLVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-5-34(31,32)29(22-18-25(3,4)33-23-11-10-20(2)17-21(22)23)15-7-6-9-24(30)27-12-8-14-28-16-13-26-19-28/h10-11,13,16-17,19,22H,5-9,12,14-15,18H2,1-4H3,(H,27,30).
What are the key properties of 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide?
5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide has a molecular weight of 490.67 g/mol, XLogP of 3.82, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide is sourced from PubChem (CID 15859753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).