5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide

About 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide

5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide (PubChem CID 10482328) has the molecular formula C25H30Cl2N4O3S and a molecular weight of 537.51 g/mol. Its IUPAC name is 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide.

Molecular Properties

Compound Name	5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide
PubChem CID	10482328
Molecular Formula	C25H30Cl2N4O3S
Molecular Weight	537.51 g/mol
Exact Mass	536.14
IUPAC Name	5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide
SMILES	CN(Cc1ccc(C2=NCCN2)cc1)C(=O)CCCCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl
InChI	InChI=1S/C25H30Cl2N4O3S/c1-30(17-18-8-10-19(11-9-18)25-28-14-15-29-25)23(32)7-2-3-16-31(20-12-13-20)35(33,34)22-6-4-5-21(26)24(22)27/h4-6,8-11,20H,2-3,7,12-17H2,1H3,(H,28,29)
InChIKey	OORFNWWKPBEQRE-UHFFFAOYSA-N
XLogP	4.33
TPSA	82.08 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.51
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?

The IUPAC name of 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide (CID 10482328) is 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide.

What is the SMILES notation for 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?

The canonical SMILES for 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide is CN(Cc1ccc(C2=NCCN2)cc1)C(=O)CCCCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl.

What is the InChIKey of 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?

The InChIKey is OORFNWWKPBEQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N4O3S/c1-30(17-18-8-10-19(11-9-18)25-28-14-15-29-25)23(32)7-2-3-16-31(20-12-13-20)35(33,34)22-6-4-5-21(26)24(22)27/h4-6,8-11,20H,2-3,7,12-17H2,1H3,(H,28,29).

What are the key properties of 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?

5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide has a molecular weight of 537.51 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[cyclopropyl-(2,3-dichlorophenyl)sulfonylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide is sourced from PubChem (CID 10482328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).