2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H13ClN2O3S2 — CID 56811456

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)S(=O)Cc2ccc(Cl)s2)no1
InChIInChI=1S/C12H13ClN2O3S2/c1-7-5-11(15-18-7)14-12(16)8(2)20(17)6-9-3-4-10(13)19-9/h3-5,8H,6H2,1-2H3,(H,14,15,16)
InChIKeyAHLCDTVAICCSNP-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.97
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 56811456) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID56811456
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)S(=O)Cc2ccc(Cl)s2)no1
InChIInChI=1S/C12H13ClN2O3S2/c1-7-5-11(15-18-7)14-12(16)8(2)20(17)6-9-3-4-10(13)19-9/h3-5,8H,6H2,1-2H3,(H,14,15,16)
InChIKeyAHLCDTVAICCSNP-UHFFFAOYSA-N
XLogP2.97
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
Pentanedioic acid (5-methyl-isoxazol-3-yl)-amide (thiophen-2-ylmethyl)-amide
CID 652358
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
N-(5-methyl-1,2-oxazol-3-yl)-2-(phenylsulfanyl)acetamide
CID 700938
N-(5-methyl-3-isoxazolyl)-3-(2-thienyl)acrylamide
CID 845123
3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 2987214
N-(5-methyl-1,2-oxazol-3-yl)-3-(phenylsulfanyl)propanamide
CID 3159792
N-(5-methylisoxazol-3-yl)-2-(phenylsulfonyl)acetamide
CID 974462
(E)-N-(5-methylisoxazol-3-yl)-3-(5-nitrothiophen-2-yl)acrylamide
CID 6011142

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 56811456) is 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)S(=O)Cc2ccc(Cl)s2)no1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is AHLCDTVAICCSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-7-5-11(15-18-7)14-12(16)8(2)20(17)6-9-3-4-10(13)19-9/h3-5,8H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 56811456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).