5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide

C20H21FN2O4S2 — CID 55650141

IUPAC5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)o1
InChIInChI=1S/C20H21FN2O4S2/c1-20(2,3)23-29(25,26)17-11-10-15(27-17)19(24)22-18(16-5-4-12-28-16)13-6-8-14(21)9-7-13/h4-12,18,23H,1-3H3,(H,22,24)
InChIKeyAIPSZUDQWSJIFW-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.08
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide (PubChem CID 55650141) has the molecular formula C20H21FN2O4S2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide
PubChem CID55650141
Molecular FormulaC20H21FN2O4S2
Molecular Weight436.53 g/mol
Exact Mass436.09
IUPAC Name5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)o1
InChIInChI=1S/C20H21FN2O4S2/c1-20(2,3)23-29(25,26)17-11-10-15(27-17)19(24)22-18(16-5-4-12-28-16)13-6-8-14(21)9-7-13/h4-12,18,23H,1-3H3,(H,22,24)
InChIKeyAIPSZUDQWSJIFW-UHFFFAOYSA-N
XLogP4.08
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 48731730

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide (CID 55650141) is 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide?
The InChIKey is AIPSZUDQWSJIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S2/c1-20(2,3)23-29(25,26)17-11-10-15(27-17)19(24)22-18(16-5-4-12-28-16)13-6-8-14(21)9-7-13/h4-12,18,23H,1-3H3,(H,22,24).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide is sourced from PubChem (CID 55650141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).