N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide

C21H26N4O3S2 — CID 67819598

IUPACN-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCOc1cc(CNS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1
InChIInChI=1S/C21H26N4O3S2/c1-3-25(4-2)11-12-28-18-14-17(16-23-30(26,27)21-9-7-13-29-21)24-20(15-18)19-8-5-6-10-22-19/h5-10,13-15,23H,3-4,11-12,16H2,1-2H3
InChIKeyJWQAHZDJFUKWQM-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.40
Rot. Bonds11

About N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide

N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 67819598) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID67819598
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCOc1cc(CNS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1
InChIInChI=1S/C21H26N4O3S2/c1-3-25(4-2)11-12-28-18-14-17(16-23-30(26,27)21-9-7-13-29-21)24-20(15-18)19-8-5-6-10-22-19/h5-10,13-15,23H,3-4,11-12,16H2,1-2H3
InChIKeyJWQAHZDJFUKWQM-UHFFFAOYSA-N
XLogP3.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide (CID 67819598) is N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide is CCN(CC)CCOc1cc(CNS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is JWQAHZDJFUKWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-3-25(4-2)11-12-28-18-14-17(16-23-30(26,27)21-9-7-13-29-21)24-20(15-18)19-8-5-6-10-22-19/h5-10,13-15,23H,3-4,11-12,16H2,1-2H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 446.60 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67819598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).