5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide

C24H30Cl2N4O3S — CID 11541927

IUPAC5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide
SMILESCc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c1Cl
InChIInChI=1S/C24H30Cl2N4O3S/c1-17-20(25)11-12-21(23(17)26)34(32,33)30(3)15-5-4-6-22(31)29(2)16-18-7-9-19(10-8-18)24-27-13-14-28-24/h7-12H,4-6,13-16H2,1-3H3,(H,27,28)
InChIKeyRQDWOKKPAYLVLK-UHFFFAOYSA-N
MW525.50 g/mol
LogP4.10
Rot. Bonds10

About 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide

5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide (PubChem CID 11541927) has the molecular formula C24H30Cl2N4O3S and a molecular weight of 525.50 g/mol. Its IUPAC name is 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide
PubChem CID11541927
Molecular FormulaC24H30Cl2N4O3S
Molecular Weight525.50 g/mol
Exact Mass524.14
IUPAC Name5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide
SMILESCc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c1Cl
InChIInChI=1S/C24H30Cl2N4O3S/c1-17-20(25)11-12-21(23(17)26)34(32,33)30(3)15-5-4-6-22(31)29(2)16-18-7-9-19(10-8-18)24-27-13-14-28-24/h7-12H,4-6,13-16H2,1-3H3,(H,27,28)
InChIKeyRQDWOKKPAYLVLK-UHFFFAOYSA-N
XLogP4.10
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?
The IUPAC name of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide (CID 11541927) is 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide.
What is the SMILES notation for 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?
The canonical SMILES for 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide is Cc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c1Cl.
What is the InChIKey of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?
The InChIKey is RQDWOKKPAYLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3S/c1-17-20(25)11-12-21(23(17)26)34(32,33)30(3)15-5-4-6-22(31)29(2)16-18-7-9-19(10-8-18)24-27-13-14-28-24/h7-12H,4-6,13-16H2,1-3H3,(H,27,28).
What are the key properties of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide?
5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide has a molecular weight of 525.50 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide is sourced from PubChem (CID 11541927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).