N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C17H25NO4S2 — CID 71804874

IUPACN-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCOC1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CCSC1
InChIInChI=1S/C17H25NO4S2/c1-13(2)24(20,21)15-6-4-14(5-7-15)10-16(19)18-11-17(22-3)8-9-23-12-17/h4-7,13H,8-12H2,1-3H3,(H,18,19)
InChIKeyVZCSPUMDWUMKMH-UHFFFAOYSA-N
MW371.52 g/mol
LogP2.05
Rot. Bonds7

About N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71804874) has the molecular formula C17H25NO4S2 and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71804874
Molecular FormulaC17H25NO4S2
Molecular Weight371.52 g/mol
Exact Mass371.12
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCOC1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CCSC1
InChIInChI=1S/C17H25NO4S2/c1-13(2)24(20,21)15-6-4-14(5-7-15)10-16(19)18-11-17(22-3)8-9-23-12-17/h4-7,13H,8-12H2,1-3H3,(H,18,19)
InChIKeyVZCSPUMDWUMKMH-UHFFFAOYSA-N
XLogP2.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71804874) is N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is COC1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is VZCSPUMDWUMKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S2/c1-13(2)24(20,21)15-6-4-14(5-7-15)10-16(19)18-11-17(22-3)8-9-23-12-17/h4-7,13H,8-12H2,1-3H3,(H,18,19).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 371.52 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71804874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).