N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide

C22H27N3O5S2 — CID 24816757

IUPACN-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-30-19-9-5-17(6-10-19)23-21(26)15-31-16-22(27)24-18-7-11-20(12-8-18)32(28,29)25-13-3-2-4-14-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyUSCGXGLGSNGEEH-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.18
Rot. Bonds9

About N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide

N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide (PubChem CID 24816757) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
PubChem CID24816757
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC NameN-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-30-19-9-5-17(6-10-19)23-21(26)15-31-16-22(27)24-18-7-11-20(12-8-18)32(28,29)25-13-3-2-4-14-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyUSCGXGLGSNGEEH-UHFFFAOYSA-N
XLogP3.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
N-(4-methoxyphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7759366
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 23961972
2-(2-methylpropylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425954
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 23941582
N-(4-methoxyphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 23959548
(E)-3-(4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1363250

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide (CID 24816757) is N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide is COc1ccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide?
The InChIKey is USCGXGLGSNGEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-30-19-9-5-17(6-10-19)23-21(26)15-31-16-22(27)24-18-7-11-20(12-8-18)32(28,29)25-13-3-2-4-14-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide has a molecular weight of 477.61 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 24816757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).