N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C24H30ClN3O3S — CID 16567488

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C24H30ClN3O3S/c25-20-9-12-23(27-14-2-1-3-15-27)22(18-20)26-24(29)13-8-19-6-10-21(11-7-19)32(30,31)28-16-4-5-17-28/h6-7,9-12,18H,1-5,8,13-17H2,(H,26,29)
InChIKeyOUUDFVWYKYXEGT-UHFFFAOYSA-N
MW476.04 g/mol
LogP4.69
Rot. Bonds7

About N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 16567488) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID16567488
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C24H30ClN3O3S/c25-20-9-12-23(27-14-2-1-3-15-27)22(18-20)26-24(29)13-8-19-6-10-21(11-7-19)32(30,31)28-16-4-5-17-28/h6-7,9-12,18H,1-5,8,13-17H2,(H,26,29)
InChIKeyOUUDFVWYKYXEGT-UHFFFAOYSA-N
XLogP4.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 16567488) is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is OUUDFVWYKYXEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c25-20-9-12-23(27-14-2-1-3-15-27)22(18-20)26-24(29)13-8-19-6-10-21(11-7-19)32(30,31)28-16-4-5-17-28/h6-7,9-12,18H,1-5,8,13-17H2,(H,26,29).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 476.04 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 16567488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).