N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide

C22H23FN2O3S2 — CID 56553632

IUPACN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide
SMILESCC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H23FN2O3S2/c1-15(2)25(22(26)13-16-3-10-20(11-4-16)30(24,27)28)14-19-9-12-21(29-19)17-5-7-18(23)8-6-17/h3-12,15H,13-14H2,1-2H3,(H2,24,27,28)
InChIKeyBGFHGEXEIOSFPY-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.18
Rot. Bonds7

About N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide

N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56553632) 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]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide
PubChem CID56553632
Molecular FormulaC22H23FN2O3S2
Molecular Weight446.57 g/mol
Exact Mass446.11
IUPAC NameN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide
SMILESCC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H23FN2O3S2/c1-15(2)25(22(26)13-16-3-10-20(11-4-16)30(24,27)28)14-19-9-12-21(29-19)17-5-7-18(23)8-6-17/h3-12,15H,13-14H2,1-2H3,(H2,24,27,28)
InChIKeyBGFHGEXEIOSFPY-UHFFFAOYSA-N
XLogP4.18
TPSA80.47 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 47071534
(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
CID 120789951
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122047013
(2S)-2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120510670
2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
CID 84756415
(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100669445
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide;hydrochloride
CID 119754146
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3655543
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
[5-[[[2-(4-fluorophenyl)acetyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate
CID 3531057
2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46608934
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide (CID 56553632) is N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide is CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is BGFHGEXEIOSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S2/c1-15(2)25(22(26)13-16-3-10-20(11-4-16)30(24,27)28)14-19-9-12-21(29-19)17-5-7-18(23)8-6-17/h3-12,15H,13-14H2,1-2H3,(H2,24,27,28).
What are the key properties of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide?
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 446.57 g/mol, XLogP of 4.18, 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]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56553632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).