4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide

C23H32ClN3O5S — CID 92510281

IUPAC4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESO=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C23H32ClN3O5S/c24-17-3-7-21(8-4-17)33(30,31)27(18-5-6-18)19-11-13-26(14-12-19)23(29)10-9-22(28)25-16-20-2-1-15-32-20/h3-4,7-8,18-20H,1-2,5-6,9-16H2,(H,25,28)/t20-/m0/s1
InChIKeyZNTMJWIGHPXASE-FQEVSTJZSA-N
MW498.05 g/mol
LogP2.56
Rot. Bonds9

About 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide

4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 92510281) has the molecular formula C23H32ClN3O5S and a molecular weight of 498.05 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID92510281
Molecular FormulaC23H32ClN3O5S
Molecular Weight498.05 g/mol
Exact Mass497.18
IUPAC Name4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESO=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C23H32ClN3O5S/c24-17-3-7-21(8-4-17)33(30,31)27(18-5-6-18)19-11-13-26(14-12-19)23(29)10-9-22(28)25-16-20-2-1-15-32-20/h3-4,7-8,18-20H,1-2,5-6,9-16H2,(H,25,28)/t20-/m0/s1
InChIKeyZNTMJWIGHPXASE-FQEVSTJZSA-N
XLogP2.56
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide with MolForge

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Related Compounds

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1166795
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2947381
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143030
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 92510281) is 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide is O=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is ZNTMJWIGHPXASE-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32ClN3O5S/c24-17-3-7-21(8-4-17)33(30,31)27(18-5-6-18)19-11-13-26(14-12-19)23(29)10-9-22(28)25-16-20-2-1-15-32-20/h3-4,7-8,18-20H,1-2,5-6,9-16H2,(H,25,28)/t20-/m0/s1.
What are the key properties of 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 498.05 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 92510281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).