N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide

C22H29N3O4S — CID 71945543

IUPACN-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-17-5-11-22(12-6-17)30(28,29)25(16-21(27)15-24-13-3-4-14-24)20-9-7-19(8-10-20)23-18(2)26/h5-12,21,27H,3-4,13-16H2,1-2H3,(H,23,26)
InChIKeyILDMZMZRRGPXBL-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.61
Rot. Bonds8

About N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide

N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 71945543) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID71945543
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-17-5-11-22(12-6-17)30(28,29)25(16-21(27)15-24-13-3-4-14-24)20-9-7-19(8-10-20)23-18(2)26/h5-12,21,27H,3-4,13-16H2,1-2H3,(H,23,26)
InChIKeyILDMZMZRRGPXBL-UHFFFAOYSA-N
XLogP2.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 3125892
N-(4-fluorophenyl)-N-(2-hydroxy-3-piperazin-1-ylpropyl)-4-methylbenzenesulfonamide;oxalic acid
CID 45283692
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1077008
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1077012
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3151264
N-[4-[[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylsulfonylamino]phenyl]acetamide
CID 12724068
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methylbenzenesulfonamide
CID 2884063
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-nitrophenyl)benzenesulfonamide;hydrochloride
CID 52998314
N-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 1394785
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
CID 3293139

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 71945543) is N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is ILDMZMZRRGPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17-5-11-22(12-6-17)30(28,29)25(16-21(27)15-24-13-3-4-14-24)20-9-7-19(8-10-20)23-18(2)26/h5-12,21,27H,3-4,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 71945543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).