N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide

C18H18N4O4S2 — CID 42691393

IUPACN-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc1)c1ccco1
InChIInChI=1S/C18H18N4O4S2/c23-18(15-3-1-11-26-15)20-14-5-6-16(19-13-14)21-7-9-22(10-8-21)28(24,25)17-4-2-12-27-17/h1-6,11-13H,7-10H2,(H,20,23)
InChIKeyBMSDNQWRCAJWIU-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.50
Rot. Bonds5

About N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide

N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide (PubChem CID 42691393) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
PubChem CID42691393
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc1)c1ccco1
InChIInChI=1S/C18H18N4O4S2/c23-18(15-3-1-11-26-15)20-14-5-6-16(19-13-14)21-7-9-22(10-8-21)28(24,25)17-4-2-12-27-17/h1-6,11-13H,7-10H2,(H,20,23)
InChIKeyBMSDNQWRCAJWIU-UHFFFAOYSA-N
XLogP2.50
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42857295
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9477271
N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46084240
N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42856931
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 113011285
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46054113
N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide (CID 42691393) is N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc1)c1ccco1.
What is the InChIKey of N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is BMSDNQWRCAJWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-18(15-3-1-11-26-15)20-14-5-6-16(19-13-14)21-7-9-22(10-8-21)28(24,25)17-4-2-12-27-17/h1-6,11-13H,7-10H2,(H,20,23).
What are the key properties of N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 42691393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).