4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C22H23ClN4O3S2 — CID 68659190

IUPAC4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)n1
InChIInChI=1S/C22H23ClN4O3S2/c1-16-3-2-4-20(25-16)26-11-13-27(14-12-26)32(29,30)21-10-9-19(31-21)15-24-22(28)17-5-7-18(23)8-6-17/h2-10H,11-15H2,1H3,(H,24,28)
InChIKeyDMNQKNTULJHUKR-UHFFFAOYSA-N
MW491.04 g/mol
LogP3.55
Rot. Bonds6

About 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 68659190) has the molecular formula C22H23ClN4O3S2 and a molecular weight of 491.04 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID68659190
Molecular FormulaC22H23ClN4O3S2
Molecular Weight491.04 g/mol
Exact Mass490.09
IUPAC Name4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)n1
InChIInChI=1S/C22H23ClN4O3S2/c1-16-3-2-4-20(25-16)26-11-13-27(14-12-26)32(29,30)21-10-9-19(31-21)15-24-22(28)17-5-7-18(23)8-6-17/h2-10H,11-15H2,1H3,(H,24,28)
InChIKeyDMNQKNTULJHUKR-UHFFFAOYSA-N
XLogP3.55
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[5-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 139946128
N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 152529035
4-chloro-N-[[5-[4-[3-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 70221462
4-chloro-N-[[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[(2-phenylacetyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 173124026
N-[[5-[4-(1-adamantylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 10281216
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
4-chloro-N-[[5-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10229722
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
acetonitrile;N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 69025617
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
4-chloro-N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10301851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 68659190) is 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)n1.
What is the InChIKey of 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is DMNQKNTULJHUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S2/c1-16-3-2-4-20(25-16)26-11-13-27(14-12-26)32(29,30)21-10-9-19(31-21)15-24-22(28)17-5-7-18(23)8-6-17/h2-10H,11-15H2,1H3,(H,24,28).
What are the key properties of 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 491.04 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 68659190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).