2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide

C21H25ClN4O4S — CID 4847508

IUPAC2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C21H25ClN4O4S/c1-15(27)24-17-7-5-6-16(12-17)23-14-21(28)25-20-13-18(8-9-19(20)22)31(29,30)26-10-3-2-4-11-26/h5-9,12-13,23H,2-4,10-11,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyAHPXQHPMCGWBLD-UHFFFAOYSA-N
MW464.98 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4847508) has the molecular formula C21H25ClN4O4S and a molecular weight of 464.98 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4847508
Molecular FormulaC21H25ClN4O4S
Molecular Weight464.98 g/mol
Exact Mass464.13
IUPAC Name2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C21H25ClN4O4S/c1-15(27)24-17-7-5-6-16(12-17)23-14-21(28)25-20-13-18(8-9-19(20)22)31(29,30)26-10-3-2-4-11-26/h5-9,12-13,23H,2-4,10-11,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyAHPXQHPMCGWBLD-UHFFFAOYSA-N
XLogP3.52
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 4847508) is 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is AHPXQHPMCGWBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4S/c1-15(27)24-17-7-5-6-16(12-17)23-14-21(28)25-20-13-18(8-9-19(20)22)31(29,30)26-10-3-2-4-11-26/h5-9,12-13,23H,2-4,10-11,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 464.98 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4847508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).