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

C22H26F2N4O3S — CID 58638691

IUPAC3-[(3,4-difluorophenyl)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)c(F)c1
InChIInChI=1S/C22H26F2N4O3S/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)18-7-8-19(23)20(24)15-18/h3-8,15H,9-14H2,1-2H3,(H,25,26)
InChIKeyNEBCCGLEGOPSBC-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.03
Rot. Bonds9

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

3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (PubChem CID 58638691) has the molecular formula C22H26F2N4O3S and a molecular weight of 464.54 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
PubChem CID58638691
Molecular FormulaC22H26F2N4O3S
Molecular Weight464.54 g/mol
Exact Mass464.17
IUPAC Name3-[(3,4-difluorophenyl)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)c(F)c1
InChIInChI=1S/C22H26F2N4O3S/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)18-7-8-19(23)20(24)15-18/h3-8,15H,9-14H2,1-2H3,(H,25,26)
InChIKeyNEBCCGLEGOPSBC-UHFFFAOYSA-N
XLogP2.03
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 57342845
2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
CID 57343016
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 9325508
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 135455222
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 135512265
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 2962121
N-[2-[4-[[5-oxo-2-propyl-4,4-bis(trifluoromethyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonylhexanamide
CID 44210873
8-(Benzenesulfonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4,8-triazacycloundecan-5-one
CID 110200891
N-[2-[4-[(5,5-dimethyl-4-oxo-2-propylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
CID 44210863
N~2~-[4-Ethyl-5-(4-methylphenyl)-1,1-dioxido-3-isothiazolyl]-N-(2-fluorobenzyl)glycinamide
CID 135706442
US12128028, Example 182
CID 146294144
US12128028, Example 251
CID 146294154

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (CID 58638691) is 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)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)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The InChIKey is NEBCCGLEGOPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3S/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)18-7-8-19(23)20(24)15-18/h3-8,15H,9-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide has a molecular weight of 464.54 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 58638691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).