N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C23H34N4O5S — CID 55605896

IUPACN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CC1=O
InChIInChI=1S/C23H34N4O5S/c1-17(2)27-16-18(14-22(27)28)23(29)24-20-15-19(33(30,31)26-8-4-3-5-9-26)6-7-21(20)25-10-12-32-13-11-25/h6-7,15,17-18H,3-5,8-14,16H2,1-2H3,(H,24,29)
InChIKeyPLESGMQEEPBJMM-UHFFFAOYSA-N
MW478.62 g/mol
LogP1.89
Rot. Bonds6

About N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 55605896) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID55605896
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CC1=O
InChIInChI=1S/C23H34N4O5S/c1-17(2)27-16-18(14-22(27)28)23(29)24-20-15-19(33(30,31)26-8-4-3-5-9-26)6-7-21(20)25-10-12-32-13-11-25/h6-7,15,17-18H,3-5,8-14,16H2,1-2H3,(H,24,29)
InChIKeyPLESGMQEEPBJMM-UHFFFAOYSA-N
XLogP1.89
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 55605896) is N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CC1=O.
What is the InChIKey of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is PLESGMQEEPBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-17(2)27-16-18(14-22(27)28)23(29)24-20-15-19(33(30,31)26-8-4-3-5-9-26)6-7-21(20)25-10-12-32-13-11-25/h6-7,15,17-18H,3-5,8-14,16H2,1-2H3,(H,24,29).
What are the key properties of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55605896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).