4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide

C20H24N4O2S2 — CID 10343881

IUPAC4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)cc1
InChIInChI=1S/C20H24N4O2S2/c1-14(2)15-3-5-16(6-4-15)23-28(25,26)19-13-17-18(27-19)7-8-22-20(17)24-11-9-21-10-12-24/h3-8,13-14,21,23H,9-12H2,1-2H3
InChIKeyDSTDGHOXSYMRDK-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.63
Rot. Bonds5

About 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide

4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 10343881) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID10343881
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC Name4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)cc1
InChIInChI=1S/C20H24N4O2S2/c1-14(2)15-3-5-16(6-4-15)23-28(25,26)19-13-17-18(27-19)7-8-22-20(17)24-11-9-21-10-12-24/h3-8,13-14,21,23H,9-12H2,1-2H3
InChIKeyDSTDGHOXSYMRDK-UHFFFAOYSA-N
XLogP3.63
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
CID 87290241
4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 67157565
4-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;N-(4-chlorophenyl)-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 162123188
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 67156708
N-phenyl-7-piperazin-1-ylthieno[2,3-c]pyridine-2-sulfonamide
CID 67157197
2-[(4-methylphenyl)methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10047956
2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10386823
2-[(4-bromophenyl)methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10005739
4-(1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)sulfonylthieno[3,2-c]pyridine;hydrochloride
CID 10412811
2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine;hydrochloride
CID 10324114
2-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10460095
4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 67156592

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide (CID 10343881) is 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)cc1.
What is the InChIKey of 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is DSTDGHOXSYMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-14(2)15-3-5-16(6-4-15)23-28(25,26)19-13-17-18(27-19)7-8-22-20(17)24-11-9-21-10-12-24/h3-8,13-14,21,23H,9-12H2,1-2H3.
What are the key properties of 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 416.57 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 10343881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).