[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

C18H26N2O6S2 — CID 3621047

IUPAC[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC(=O)N1CCCCCC1
InChIInChI=1S/C18H26N2O6S2/c21-16(19-7-3-1-2-4-8-19)14-26-17(22)13-15-5-6-18(27-15)28(23,24)20-9-11-25-12-10-20/h5-6H,1-4,7-14H2
InChIKeyIZXCLGIFNDPOLW-UHFFFAOYSA-N
MW430.55 g/mol
LogP1.26
Rot. Bonds6

About [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (PubChem CID 3621047) has the molecular formula C18H26N2O6S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
PubChem CID3621047
Molecular FormulaC18H26N2O6S2
Molecular Weight430.55 g/mol
Exact Mass430.12
IUPAC Name[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC(=O)N1CCCCCC1
InChIInChI=1S/C18H26N2O6S2/c21-16(19-7-3-1-2-4-8-19)14-26-17(22)13-15-5-6-18(27-15)28(23,24)20-9-11-25-12-10-20/h5-6H,1-4,7-14H2
InChIKeyIZXCLGIFNDPOLW-UHFFFAOYSA-N
XLogP1.26
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55496650
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2378199
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 23770843
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23847849
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
(2,6-dimethylphenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 8765732
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 137331342
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
[2-(2-nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23938698
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23880908
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23995644

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (CID 3621047) is [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC(=O)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is IZXCLGIFNDPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S2/c21-16(19-7-3-1-2-4-8-19)14-26-17(22)13-15-5-6-18(27-15)28(23,24)20-9-11-25-12-10-20/h5-6H,1-4,7-14H2.
What are the key properties of [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 430.55 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 3621047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).