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

C15H18N2O5S3 — CID 130358176

IUPACN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C15H18N2O5S3/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)
InChIKeyGSZBXTMSGAKBLK-UHFFFAOYSA-N
MW402.52 g/mol
LogP0.95
Rot. Bonds7

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

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide (PubChem CID 130358176) has the molecular formula C15H18N2O5S3 and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide
PubChem CID130358176
Molecular FormulaC15H18N2O5S3
Molecular Weight402.52 g/mol
Exact Mass402.04
IUPAC NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C15H18N2O5S3/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)
InChIKeyGSZBXTMSGAKBLK-UHFFFAOYSA-N
XLogP0.95
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10807974, Example 5
CID 130358172
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
N-benzyl-3-[(2-thienylsulfonyl)amino]propanamide
CID 9551483
[5-[4-(2-Methoxyethylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345082
1-[4-[2-[4-[5-(Aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 130344885
US10807974, Example 38
CID 130344886
US10807974, Example 41
CID 130344930
US10807974, Example 26
CID 130345069
US10807974, Example 12
CID 130358029
US10807974, Example 27
CID 130358253
US10807974, Example 17
CID 130358510

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide?
The IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide (CID 130358176) is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide.
What is the SMILES notation for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide?
The canonical SMILES for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide is CC(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide?
The InChIKey is GSZBXTMSGAKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S3/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).
What are the key properties of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide?
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 0.95, 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 is sourced from PubChem (CID 130358176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).