N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

C19H24FN3O3S — CID 31544702

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-23(2)14-16-5-3-15(4-6-16)13-21-19(24)11-12-22-27(25,26)18-9-7-17(20)8-10-18/h3-10,22H,11-14H2,1-2H3,(H,21,24)
InChIKeyKXWSWJNMGUGKHC-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.87
Rot. Bonds9

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 31544702) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID31544702
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-23(2)14-16-5-3-15(4-6-16)13-21-19(24)11-12-22-27(25,26)18-9-7-17(20)8-10-18/h3-10,22H,11-14H2,1-2H3,(H,21,24)
InChIKeyKXWSWJNMGUGKHC-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468
4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24644992
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
methyl 4-[[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284092
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 48503596
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 31544702) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is CN(C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is KXWSWJNMGUGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-23(2)14-16-5-3-15(4-6-16)13-21-19(24)11-12-22-27(25,26)18-9-7-17(20)8-10-18/h3-10,22H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 393.48 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 31544702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).