N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide

C19H24FN3O3S — CID 119731459

IUPACN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C19H24FN3O3S/c1-14(11-21-2)19(24)22-12-16-6-4-8-18(10-16)27(25,26)23-13-15-5-3-7-17(20)9-15/h3-10,14,21,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyODLZMKJINJTXGE-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.78
Rot. Bonds9

About N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119731459) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119731459
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C19H24FN3O3S/c1-14(11-21-2)19(24)22-12-16-6-4-8-18(10-16)27(25,26)23-13-15-5-3-7-17(20)9-15/h3-10,14,21,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyODLZMKJINJTXGE-UHFFFAOYSA-N
XLogP1.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
1-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125456
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16666176
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119731459) is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is ODLZMKJINJTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-14(11-21-2)19(24)22-12-16-6-4-8-18(10-16)27(25,26)23-13-15-5-3-7-17(20)9-15/h3-10,14,21,23H,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 393.48 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119731459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).