N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide

C24H24FN3O4S — CID 175258704

IUPACN-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide
SMILESCOc1ccncc1NC=CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C24H24FN3O4S/c1-28(17-18-7-5-8-19(25)15-18)24(29)20-9-3-4-10-23(20)33(30,31)14-6-12-27-21-16-26-13-11-22(21)32-2/h3-13,15-16,27H,14,17H2,1-2H3
InChIKeyUTPQTMGJMBVTBA-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.90
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide

N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide (PubChem CID 175258704) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide
PubChem CID175258704
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide
SMILESCOc1ccncc1NC=CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C24H24FN3O4S/c1-28(17-18-7-5-8-19(25)15-18)24(29)20-9-3-4-10-23(20)33(30,31)14-6-12-27-21-16-26-13-11-22(21)32-2/h3-13,15-16,27H,14,17H2,1-2H3
InChIKeyUTPQTMGJMBVTBA-UHFFFAOYSA-N
XLogP3.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide
CID 58924141
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
CID 55669173
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide (CID 175258704) is N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide is COc1ccncc1NC=CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide?
The InChIKey is UTPQTMGJMBVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-28(17-18-7-5-8-19(25)15-18)24(29)20-9-3-4-10-23(20)33(30,31)14-6-12-27-21-16-26-13-11-22(21)32-2/h3-13,15-16,27H,14,17H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide?
N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide has a molecular weight of 469.54 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide is sourced from PubChem (CID 175258704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).