N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide

C21H25N3O3S2 — CID 24732365

IUPACN-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccco1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C21H25N3O3S2/c25-29(26,21-7-4-16-28-21)24(17-20-6-3-15-27-20)19-9-13-23(14-10-19)12-8-18-5-1-2-11-22-18/h1-7,11,15-16,19H,8-10,12-14,17H2
InChIKeyNJGYZMCKECKMTN-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.63
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 24732365) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID24732365
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC NameN-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccco1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C21H25N3O3S2/c25-29(26,21-7-4-16-28-21)24(17-20-6-3-15-27-20)19-9-13-23(14-10-19)12-8-18-5-1-2-11-22-18/h1-7,11,15-16,19H,8-10,12-14,17H2
InChIKeyNJGYZMCKECKMTN-UHFFFAOYSA-N
XLogP3.63
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 24732365) is N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(Cc1ccco1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is NJGYZMCKECKMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c25-29(26,21-7-4-16-28-21)24(17-20-6-3-15-27-20)19-9-13-23(14-10-19)12-8-18-5-1-2-11-22-18/h1-7,11,15-16,19H,8-10,12-14,17H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 431.58 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 24732365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).