5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide

C18H27N3O5S — CID 55651736

IUPAC5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)o1
InChIInChI=1S/C18H27N3O5S/c1-18(2,3)20-27(24,25)15-7-6-14(26-15)16(22)19-13-8-10-21(11-9-13)17(23)12-4-5-12/h6-7,12-13,20H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyBMWZMLWQBKOJDS-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.49
Rot. Bonds5

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

5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 55651736) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID55651736
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)o1
InChIInChI=1S/C18H27N3O5S/c1-18(2,3)20-27(24,25)15-7-6-14(26-15)16(22)19-13-8-10-21(11-9-13)17(23)12-4-5-12/h6-7,12-13,20H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyBMWZMLWQBKOJDS-UHFFFAOYSA-N
XLogP1.49
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699
N-(1-benzylpiperidin-4-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 39895915
5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide
CID 46463865
5-(methylsulfamoyl)-N-piperidin-3-ylfuran-2-carboxamide
CID 112530964
5-(tert-butylsulfamoyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
CID 55650330
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551725
N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide
CID 75422401
N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide
CID 86965922
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide (CID 55651736) is 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is BMWZMLWQBKOJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-18(2,3)20-27(24,25)15-7-6-14(26-15)16(22)19-13-8-10-21(11-9-13)17(23)12-4-5-12/h6-7,12-13,20H,4-5,8-11H2,1-3H3,(H,19,22).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 55651736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).