N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide

C21H27NO4S2 — CID 73167808

IUPACN-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2cccs2)C2CCOCC2)cc1
InChIInChI=1S/C21H27NO4S2/c1-16(2)28(24,25)20-7-5-17(6-8-20)14-21(23)22(15-19-4-3-13-27-19)18-9-11-26-12-10-18/h3-8,13,16,18H,9-12,14-15H2,1-2H3
InChIKeyKNKVPRAOEFYUIW-UHFFFAOYSA-N
MW421.58 g/mol
LogP3.68
Rot. Bonds7

About N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide

N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 73167808) has the molecular formula C21H27NO4S2 and a molecular weight of 421.58 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID73167808
Molecular FormulaC21H27NO4S2
Molecular Weight421.58 g/mol
Exact Mass421.14
IUPAC NameN-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2cccs2)C2CCOCC2)cc1
InChIInChI=1S/C21H27NO4S2/c1-16(2)28(24,25)20-7-5-17(6-8-20)14-21(23)22(15-19-4-3-13-27-19)18-9-11-26-12-10-18/h3-8,13,16,18H,9-12,14-15H2,1-2H3
InChIKeyKNKVPRAOEFYUIW-UHFFFAOYSA-N
XLogP3.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopentyl-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159758558
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610605
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 73167808) is N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2cccs2)C2CCOCC2)cc1.
What is the InChIKey of N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KNKVPRAOEFYUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S2/c1-16(2)28(24,25)20-7-5-17(6-8-20)14-21(23)22(15-19-4-3-13-27-19)18-9-11-26-12-10-18/h3-8,13,16,18H,9-12,14-15H2,1-2H3.
What are the key properties of N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 421.58 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 73167808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).