4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride

C24H27ClN4O2S2 — CID 67156592

IUPAC4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cc2c(N3CCN(C)CC3)nccc2s1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H26N4O2S2.ClH/c1-17(19-9-5-7-18-6-3-4-8-20(18)19)26-32(29,30)23-16-21-22(31-23)10-11-25-24(21)28-14-12-27(2)13-15-28;/h3-11,16-17,26H,12-15H2,1-2H3;1H
InChIKeyVHEVRBYSNHOTFO-UHFFFAOYSA-N
MW503.09 g/mol
LogP4.66
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride

4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride (PubChem CID 67156592) has the molecular formula C24H27ClN4O2S2 and a molecular weight of 503.09 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
PubChem CID67156592
Molecular FormulaC24H27ClN4O2S2
Molecular Weight503.09 g/mol
Exact Mass502.13
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cc2c(N3CCN(C)CC3)nccc2s1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H26N4O2S2.ClH/c1-17(19-9-5-7-18-6-3-4-8-20(18)19)26-32(29,30)23-16-21-22(31-23)10-11-25-24(21)28-14-12-27(2)13-15-28;/h3-11,16-17,26H,12-15H2,1-2H3;1H
InChIKeyVHEVRBYSNHOTFO-UHFFFAOYSA-N
XLogP4.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.09
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10322696
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 67156708
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
N-[(1S)-1-naphthalen-1-ylethyl]pyridine-2-sulfonamide
CID 11289932
S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine
CID 161254865
4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10343881
2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10386823
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
N-(1-naphthalen-1-ylethyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848753
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 46799948
1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 35308399
1-[1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 42955136

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride (CID 67156592) is 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride is CC(NS(=O)(=O)c1cc2c(N3CCN(C)CC3)nccc2s1)c1cccc2ccccc12.Cl.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride?
The InChIKey is VHEVRBYSNHOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S2.ClH/c1-17(19-9-5-7-18-6-3-4-8-20(18)19)26-32(29,30)23-16-21-22(31-23)10-11-25-24(21)28-14-12-27(2)13-15-28;/h3-11,16-17,26H,12-15H2,1-2H3;1H.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride?
4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 503.09 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 67156592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).