3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C23H19FN2O4S2 — CID 31833131

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C23H19FN2O4S2/c24-21-10-1-2-11-22(21)25-32(28,29)20-9-3-6-17(14-20)23(27)26(15-18-7-4-12-30-18)16-19-8-5-13-31-19/h1-14,25H,15-16H2
InChIKeyFMSGTTVZHHKPGD-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.12
Rot. Bonds8

About 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 31833131) has the molecular formula C23H19FN2O4S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID31833131
Molecular FormulaC23H19FN2O4S2
Molecular Weight470.55 g/mol
Exact Mass470.08
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C23H19FN2O4S2/c24-21-10-1-2-11-22(21)25-32(28,29)20-9-3-6-17(14-20)23(27)26(15-18-7-4-12-30-18)16-19-8-5-13-31-19/h1-14,25H,15-16H2
InChIKeyFMSGTTVZHHKPGD-UHFFFAOYSA-N
XLogP5.12
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9094982
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 31836707
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 31836048
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24640460
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
1-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-(furan-2-ylmethyl)thiourea
CID 8614305

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 31833131) is 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FMSGTTVZHHKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S2/c24-21-10-1-2-11-22(21)25-32(28,29)20-9-3-6-17(14-20)23(27)26(15-18-7-4-12-30-18)16-19-8-5-13-31-19/h1-14,25H,15-16H2.
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31833131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).