N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride

C15H19ClN2O5S3 — CID 138618957

IUPACN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
SMILESCC(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.Cl
InChIInChI=1S/C15H18N2O5S3.ClH/c1-11(18)17-8-9-24(19,20)13-3-5-14(6-4-13)25(21,22)15-7-2-12(10-16)23-15;/h2-7H,8-10,16H2,1H3,(H,17,18);1H
InChIKeyDCLZVGLGIRLIRQ-UHFFFAOYSA-N
MW438.98 g/mol
LogP1.37
Rot. Bonds7

About N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride (PubChem CID 138618957) has the molecular formula C15H19ClN2O5S3 and a molecular weight of 438.98 g/mol. Its IUPAC name is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
PubChem CID138618957
Molecular FormulaC15H19ClN2O5S3
Molecular Weight438.98 g/mol
Exact Mass438.01
IUPAC NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
SMILESCC(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.Cl
InChIInChI=1S/C15H18N2O5S3.ClH/c1-11(18)17-8-9-24(19,20)13-3-5-14(6-4-13)25(21,22)15-7-2-12(10-16)23-15;/h2-7H,8-10,16H2,1H3,(H,17,18);1H
InChIKeyDCLZVGLGIRLIRQ-UHFFFAOYSA-N
XLogP1.37
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride (CID 138618957) is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride is CC(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.Cl.
What is the InChIKey of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride?
The InChIKey is DCLZVGLGIRLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S3.ClH/c1-11(18)17-8-9-24(19,20)13-3-5-14(6-4-13)25(21,22)15-7-2-12(10-16)23-15;/h2-7H,8-10,16H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride?
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride has a molecular weight of 438.98 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride is sourced from PubChem (CID 138618957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).