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

C22H26ClFN4O3S — CID 58638718

IUPAC3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C22H26ClFN4O3S/c1-27(13-9-16-3-5-17(6-4-16)22-25-11-12-26-22)21(29)10-14-28(2)32(30,31)20-8-7-18(24)15-19(20)23/h3-8,15H,9-14H2,1-2H3,(H,25,26)
InChIKeyBAEWXQOKNKCYKA-UHFFFAOYSA-N
MW480.99 g/mol
LogP2.54
Rot. Bonds9

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

3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (PubChem CID 58638718) has the molecular formula C22H26ClFN4O3S and a molecular weight of 480.99 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
PubChem CID58638718
Molecular FormulaC22H26ClFN4O3S
Molecular Weight480.99 g/mol
Exact Mass480.14
IUPAC Name3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C22H26ClFN4O3S/c1-27(13-9-16-3-5-17(6-4-16)22-25-11-12-26-22)21(29)10-14-28(2)32(30,31)20-8-7-18(24)15-19(20)23/h3-8,15H,9-14H2,1-2H3,(H,25,26)
InChIKeyBAEWXQOKNKCYKA-UHFFFAOYSA-N
XLogP2.54
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (CID 58638718) is 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The InChIKey is BAEWXQOKNKCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O3S/c1-27(13-9-16-3-5-17(6-4-16)22-25-11-12-26-22)21(29)10-14-28(2)32(30,31)20-8-7-18(24)15-19(20)23/h3-8,15H,9-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide has a molecular weight of 480.99 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 58638718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).