N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide

C23H25ClN4O3S2 — CID 152529035

IUPACN-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
SMILESNCc1ccccc1N1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C23H25ClN4O3S2/c24-19-7-5-17(6-8-19)23(29)26-16-20-9-10-22(32-20)33(30,31)28-13-11-27(12-14-28)21-4-2-1-3-18(21)15-25/h1-10H,11-16,25H2,(H,26,29)
InChIKeyYJDJNWCHQGJAMG-UHFFFAOYSA-N
MW505.07 g/mol
LogP3.30
Rot. Bonds7

About N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide

N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide (PubChem CID 152529035) has the molecular formula C23H25ClN4O3S2 and a molecular weight of 505.07 g/mol. Its IUPAC name is N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
PubChem CID152529035
Molecular FormulaC23H25ClN4O3S2
Molecular Weight505.07 g/mol
Exact Mass504.11
IUPAC NameN-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
SMILESNCc1ccccc1N1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C23H25ClN4O3S2/c24-19-7-5-17(6-8-19)23(29)26-16-20-9-10-22(32-20)33(30,31)28-13-11-27(12-14-28)21-4-2-1-3-18(21)15-25/h1-10H,11-16,25H2,(H,26,29)
InChIKeyYJDJNWCHQGJAMG-UHFFFAOYSA-N
XLogP3.30
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.07
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-chloro-N-[[5-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
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4-chloro-N-[[5-[4-[3-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
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N-[[5-[4-(1-adamantylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
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3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
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4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
4-chloro-N-[[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
The IUPAC name of N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide (CID 152529035) is N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
The canonical SMILES for N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide is NCc1ccccc1N1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
The InChIKey is YJDJNWCHQGJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S2/c24-19-7-5-17(6-8-19)23(29)26-16-20-9-10-22(32-20)33(30,31)28-13-11-27(12-14-28)21-4-2-1-3-18(21)15-25/h1-10H,11-16,25H2,(H,26,29).
What are the key properties of N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide has a molecular weight of 505.07 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[2-(aminomethyl)phenyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide is sourced from PubChem (CID 152529035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).