1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C25H36N2O4S — CID 55855836

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C(C)C)o1
InChIInChI=1S/C25H36N2O4S/c1-18(2)27(17-22-10-7-19(3)31-22)24(28)20-13-15-26(16-14-20)32(29,30)23-11-8-21(9-12-23)25(4,5)6/h7-12,18,20H,13-17H2,1-6H3
InChIKeyWIHIPPGJQOBWBM-UHFFFAOYSA-N
MW460.64 g/mol
LogP4.72
Rot. Bonds6

About 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 55855836) has the molecular formula C25H36N2O4S and a molecular weight of 460.64 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID55855836
Molecular FormulaC25H36N2O4S
Molecular Weight460.64 g/mol
Exact Mass460.24
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C(C)C)o1
InChIInChI=1S/C25H36N2O4S/c1-18(2)27(17-22-10-7-19(3)31-22)24(28)20-13-15-26(16-14-20)32(29,30)23-11-8-21(9-12-23)25(4,5)6/h7-12,18,20H,13-17H2,1-6H3
InChIKeyWIHIPPGJQOBWBM-UHFFFAOYSA-N
XLogP4.72
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
CID 55856871
N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide
CID 55819003
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634
3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207581
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981748
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27780624
(2-oxo-2-propan-2-yloxyethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 46658315
1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26622257
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 95601230
(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 31226393
N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55990967

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 55855836) is 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C(C)C)o1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is WIHIPPGJQOBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4S/c1-18(2)27(17-22-10-7-19(3)31-22)24(28)20-13-15-26(16-14-20)32(29,30)23-11-8-21(9-12-23)25(4,5)6/h7-12,18,20H,13-17H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 460.64 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55855836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).