[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

C21H25N3O6S2 — CID 23770843

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1
InChIInChI=1S/C21H25N3O6S2/c1-15(25)22-16-5-7-17(8-6-16)23-19(26)14-30-20(27)13-18-9-10-21(31-18)32(28,29)24-11-3-2-4-12-24/h5-10H,2-4,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeySQBFVQFYFCLIGC-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.61
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (PubChem CID 23770843) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
PubChem CID23770843
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1
InChIInChI=1S/C21H25N3O6S2/c1-15(25)22-16-5-7-17(8-6-16)23-19(26)14-30-20(27)13-18-9-10-21(31-18)32(28,29)24-11-3-2-4-12-24/h5-10H,2-4,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeySQBFVQFYFCLIGC-UHFFFAOYSA-N
XLogP2.61
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate with MolForge

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23847849
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991
[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 3621047
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2449300
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23995644
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-acetamidopropanoate
CID 7197704
N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
CID 46553984
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23880908
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (CID 23770843) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is SQBFVQFYFCLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c1-15(25)22-16-5-7-17(8-6-16)23-19(26)14-30-20(27)13-18-9-10-21(31-18)32(28,29)24-11-3-2-4-12-24/h5-10H,2-4,11-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 479.58 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 23770843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).