5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide

C21H29N3O6S2 — CID 55650330

IUPAC5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C21H29N3O6S2/c1-21(2,3)23-31(26,27)19-12-11-18(30-19)20(25)22-15-16-7-9-17(10-8-16)32(28,29)24-13-5-4-6-14-24/h7-12,23H,4-6,13-15H2,1-3H3,(H,22,25)
InChIKeyZTFHXFKUPFHCBE-UHFFFAOYSA-N
MW483.61 g/mol
LogP2.46
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide (PubChem CID 55650330) has the molecular formula C21H29N3O6S2 and a molecular weight of 483.61 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
PubChem CID55650330
Molecular FormulaC21H29N3O6S2
Molecular Weight483.61 g/mol
Exact Mass483.15
IUPAC Name5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C21H29N3O6S2/c1-21(2,3)23-31(26,27)19-12-11-18(30-19)20(25)22-15-16-7-9-17(10-8-16)32(28,29)24-13-5-4-6-14-24/h7-12,23H,4-6,13-15H2,1-3H3,(H,22,25)
InChIKeyZTFHXFKUPFHCBE-UHFFFAOYSA-N
XLogP2.46
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(tert-butylsulfamoyl)phenyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562799
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide (CID 55650330) is 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
The InChIKey is ZTFHXFKUPFHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S2/c1-21(2,3)23-31(26,27)19-12-11-18(30-19)20(25)22-15-16-7-9-17(10-8-16)32(28,29)24-13-5-4-6-14-24/h7-12,23H,4-6,13-15H2,1-3H3,(H,22,25).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55650330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).