N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C15H22N2O6S3 — CID 24981039

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O6S3/c1-15(4-9-25(19,20)11-15)16-13(18)10-12-2-3-14(24-12)26(21,22)17-5-7-23-8-6-17/h2-3H,4-11H2,1H3,(H,16,18)
InChIKeyLIHOGMGOZGOWMA-UHFFFAOYSA-N
MW422.55 g/mol
LogP0.00
Rot. Bonds5

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24981039) has the molecular formula C15H22N2O6S3 and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24981039
Molecular FormulaC15H22N2O6S3
Molecular Weight422.55 g/mol
Exact Mass422.06
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O6S3/c1-15(4-9-25(19,20)11-15)16-13(18)10-12-2-3-14(24-12)26(21,22)17-5-7-23-8-6-17/h2-3H,4-11H2,1H3,(H,16,18)
InChIKeyLIHOGMGOZGOWMA-UHFFFAOYSA-N
XLogP0.00
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24981039) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is LIHOGMGOZGOWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S3/c1-15(4-9-25(19,20)11-15)16-13(18)10-12-2-3-14(24-12)26(21,22)17-5-7-23-8-6-17/h2-3H,4-11H2,1H3,(H,16,18).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).