2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide

C19H23N3O4S3 — CID 50829201

IUPAC2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCSCC3)sc2C)cc1
InChIInChI=1S/C19H23N3O4S3/c1-13-17(12-19(28-13)29(25,26)22-7-9-27-10-8-22)21-18(24)11-15-3-5-16(6-4-15)20-14(2)23/h3-6,12H,7-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQDZXLQFOOOSBCC-UHFFFAOYSA-N
MW453.61 g/mol
LogP2.93
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide

2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide (PubChem CID 50829201) has the molecular formula C19H23N3O4S3 and a molecular weight of 453.61 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide
PubChem CID50829201
Molecular FormulaC19H23N3O4S3
Molecular Weight453.61 g/mol
Exact Mass453.09
IUPAC Name2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCSCC3)sc2C)cc1
InChIInChI=1S/C19H23N3O4S3/c1-13-17(12-19(28-13)29(25,26)22-7-9-27-10-8-22)21-18(24)11-15-3-5-16(6-4-15)20-14(2)23/h3-6,12H,7-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQDZXLQFOOOSBCC-UHFFFAOYSA-N
XLogP2.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide (CID 50829201) is 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide is CC(=O)Nc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCSCC3)sc2C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide?
The InChIKey is QDZXLQFOOOSBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S3/c1-13-17(12-19(28-13)29(25,26)22-7-9-27-10-8-22)21-18(24)11-15-3-5-16(6-4-15)20-14(2)23/h3-6,12H,7-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide?
2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide has a molecular weight of 453.61 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide is sourced from PubChem (CID 50829201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).