N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C21H30N2O3S2 — CID 38028874

IUPACN-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H30N2O3S2/c24-20(22-14-21-11-15-8-16(12-21)10-17(9-15)13-21)19-18(4-7-27-19)28(25,26)23-5-2-1-3-6-23/h4,7,15-17H,1-3,5-6,8-14H2,(H,22,24)
InChIKeyFVACJLKIMQMXSJ-UHFFFAOYSA-N
MW422.62 g/mol
LogP3.87
Rot. Bonds5

About N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 38028874) has the molecular formula C21H30N2O3S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID38028874
Molecular FormulaC21H30N2O3S2
Molecular Weight422.62 g/mol
Exact Mass422.17
IUPAC NameN-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H30N2O3S2/c24-20(22-14-21-11-15-8-16(12-21)10-17(9-15)13-21)19-18(4-7-27-19)28(25,26)23-5-2-1-3-6-23/h4,7,15-17H,1-3,5-6,8-14H2,(H,22,24)
InChIKeyFVACJLKIMQMXSJ-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 38028874) is N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is FVACJLKIMQMXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S2/c24-20(22-14-21-11-15-8-16(12-21)10-17(9-15)13-21)19-18(4-7-27-19)28(25,26)23-5-2-1-3-6-23/h4,7,15-17H,1-3,5-6,8-14H2,(H,22,24).
What are the key properties of N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 422.62 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 38028874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).