N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C20H22N2O4S2 — CID 55364025

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H22N2O4S2/c1-15(9-10-17-6-3-11-26-17)22-20(23)16-5-2-8-19(13-16)28(24,25)21-14-18-7-4-12-27-18/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,22,23)
InChIKeyQTHUUKDCTFGULV-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.57
Rot. Bonds9

About N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 55364025) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID55364025
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H22N2O4S2/c1-15(9-10-17-6-3-11-26-17)22-20(23)16-5-2-8-19(13-16)28(24,25)21-14-18-7-4-12-27-18/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,22,23)
InChIKeyQTHUUKDCTFGULV-UHFFFAOYSA-N
XLogP3.57
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119612805
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 55364025) is N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CC(CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is QTHUUKDCTFGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-15(9-10-17-6-3-11-26-17)22-20(23)16-5-2-8-19(13-16)28(24,25)21-14-18-7-4-12-27-18/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,22,23).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55364025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).