N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C16H24N2O6S3 — CID 40986193

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O6S3/c1-2-18(13-5-10-26(20,21)12-13)15(19)11-14-3-4-16(25-14)27(22,23)17-6-8-24-9-7-17/h3-4,13H,2,5-12H2,1H3/t13-/m0/s1
InChIKeyAUDVCCLJSJUWBF-ZDUSSCGKSA-N
MW436.58 g/mol
LogP0.35
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 40986193) has the molecular formula C16H24N2O6S3 and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID40986193
Molecular FormulaC16H24N2O6S3
Molecular Weight436.58 g/mol
Exact Mass436.08
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O6S3/c1-2-18(13-5-10-26(20,21)12-13)15(19)11-14-3-4-16(25-14)27(22,23)17-6-8-24-9-7-17/h3-4,13H,2,5-12H2,1H3/t13-/m0/s1
InChIKeyAUDVCCLJSJUWBF-ZDUSSCGKSA-N
XLogP0.35
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1246104
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CID 8713390
N-(2-methylcyclohexyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24982672
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CID 24981039
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentylacetamide
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1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 40986193) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is AUDVCCLJSJUWBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O6S3/c1-2-18(13-5-10-26(20,21)12-13)15(19)11-14-3-4-16(25-14)27(22,23)17-6-8-24-9-7-17/h3-4,13H,2,5-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 40986193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).