N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide

C15H18N2O3S3 — CID 60561135

IUPACN-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCc3sccc3C2)s1
InChIInChI=1S/C15H18N2O3S3/c1-11(18)16-7-4-13-2-3-15(22-13)23(19,20)17-8-5-14-12(10-17)6-9-21-14/h2-3,6,9H,4-5,7-8,10H2,1H3,(H,16,18)
InChIKeyXJJGDYKCSONEMD-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide

N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide (PubChem CID 60561135) has the molecular formula C15H18N2O3S3 and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide
PubChem CID60561135
Molecular FormulaC15H18N2O3S3
Molecular Weight370.52 g/mol
Exact Mass370.05
IUPAC NameN-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCc3sccc3C2)s1
InChIInChI=1S/C15H18N2O3S3/c1-11(18)16-7-4-13-2-3-15(22-13)23(19,20)17-8-5-14-12(10-17)6-9-21-14/h2-3,6,9H,4-5,7-8,10H2,1H3,(H,16,18)
InChIKeyXJJGDYKCSONEMD-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119989352
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119988770
(2R,3R)-1-[5-(2-acetamidoethyl)thiophen-2-yl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105300
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide (CID 60561135) is N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N2CCc3sccc3C2)s1.
What is the InChIKey of N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide?
The InChIKey is XJJGDYKCSONEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S3/c1-11(18)16-7-4-13-2-3-15(22-13)23(19,20)17-8-5-14-12(10-17)6-9-21-14/h2-3,6,9H,4-5,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide?
N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide has a molecular weight of 370.52 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 60561135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).