N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide

C23H29FN4O3S — CID 58638731

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CCC(=O)N(C)CCc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H29FN4O3S/c1-17-4-9-20(24)16-21(17)32(30,31)28(3)15-11-22(29)27(2)14-10-18-5-7-19(8-6-18)23-25-12-13-26-23/h4-9,16H,10-15H2,1-3H3,(H,25,26)
InChIKeyFQQDUFGTZFJDKF-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide (PubChem CID 58638731) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
PubChem CID58638731
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CCC(=O)N(C)CCc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H29FN4O3S/c1-17-4-9-20(24)16-21(17)32(30,31)28(3)15-11-22(29)27(2)14-10-18-5-7-19(8-6-18)23-25-12-13-26-23/h4-9,16H,10-15H2,1-3H3,(H,25,26)
InChIKeyFQQDUFGTZFJDKF-UHFFFAOYSA-N
XLogP2.20
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide (CID 58638731) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide is Cc1ccc(F)cc1S(=O)(=O)N(C)CCC(=O)N(C)CCc1ccc(C2=NCCN2)cc1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide?
The InChIKey is FQQDUFGTZFJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c1-17-4-9-20(24)16-21(17)32(30,31)28(3)15-11-22(29)27(2)14-10-18-5-7-19(8-6-18)23-25-12-13-26-23/h4-9,16H,10-15H2,1-3H3,(H,25,26).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide has a molecular weight of 460.58 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 58638731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).