N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C25H29N5O3S — CID 24599956

IUPACN-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C25H29N5O3S/c31-23(14-11-19-9-12-20(13-10-19)34(32,33)30-17-5-6-18-30)28-24-25(29-15-3-4-16-29)27-22-8-2-1-7-21(22)26-24/h1-2,7-10,12-13H,3-6,11,14-18H2,(H,26,28,31)
InChIKeyLUAURNBWHMXIBX-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.59
Rot. Bonds7

About N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24599956) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID24599956
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC NameN-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C25H29N5O3S/c31-23(14-11-19-9-12-20(13-10-19)34(32,33)30-17-5-6-18-30)28-24-25(29-15-3-4-16-29)27-22-8-2-1-7-21(22)26-24/h1-2,7-10,12-13H,3-6,11,14-18H2,(H,26,28,31)
InChIKeyLUAURNBWHMXIBX-UHFFFAOYSA-N
XLogP3.59
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-2-ylpropanamide
CID 46655053
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
CID 29330338
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29369533
2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24590254
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16602917
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 24599956) is N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LUAURNBWHMXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c31-23(14-11-19-9-12-20(13-10-19)34(32,33)30-17-5-6-18-30)28-24-25(29-15-3-4-16-29)27-22-8-2-1-7-21(22)26-24/h1-2,7-10,12-13H,3-6,11,14-18H2,(H,26,28,31).
What are the key properties of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 479.61 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24599956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).