N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide

C22H23FN2O3S2 — CID 47071534

IUPACN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)cc1
InChIInChI=1S/C22H23FN2O3S2/c1-15(2)25(22(26)17-6-11-20(12-7-17)30(27,28)24-3)14-19-10-13-21(29-19)16-4-8-18(23)9-5-16/h4-13,15,24H,14H2,1-3H3
InChIKeyRURVKQJBPDCOFC-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.51
Rot. Bonds7

About N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide

N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide (PubChem CID 47071534) has the molecular formula C22H23FN2O3S2 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide
PubChem CID47071534
Molecular FormulaC22H23FN2O3S2
Molecular Weight446.57 g/mol
Exact Mass446.11
IUPAC NameN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)cc1
InChIInChI=1S/C22H23FN2O3S2/c1-15(2)25(22(26)17-6-11-20(12-7-17)30(27,28)24-3)14-19-10-13-21(29-19)16-4-8-18(23)9-5-16/h4-13,15,24H,14H2,1-3H3
InChIKeyRURVKQJBPDCOFC-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide
CID 56553632
(2S)-2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120510670
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122047013
(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
CID 120789951
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 55819128
[3-[[benzoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3577674
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 119754149
2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
CID 84756415
5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 56500906
4-fluoro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 42762727
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
CID 119754146

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide (CID 47071534) is N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide is CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The InChIKey is RURVKQJBPDCOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S2/c1-15(2)25(22(26)17-6-11-20(12-7-17)30(27,28)24-3)14-19-10-13-21(29-19)16-4-8-18(23)9-5-16/h4-13,15,24H,14H2,1-3H3.
What are the key properties of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide?
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide has a molecular weight of 446.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 47071534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).