N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide

C20H24N2O5S — CID 24543222

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1
InChIInChI=1S/C20H24N2O5S/c1-27-16-6-4-5-15(13-16)7-10-20(24)21-18-14-17(8-9-19(18)23)28(25,26)22-11-2-3-12-22/h4-6,8-9,13-14,23H,2-3,7,10-12H2,1H3,(H,21,24)
InChIKeyZWRXBURVFUSIPN-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.76
Rot. Bonds7

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide (PubChem CID 24543222) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
PubChem CID24543222
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1
InChIInChI=1S/C20H24N2O5S/c1-27-16-6-4-5-15(13-16)7-10-20(24)21-18-14-17(8-9-19(18)23)28(25,26)22-11-2-3-12-22/h4-6,8-9,13-14,23H,2-3,7,10-12H2,1H3,(H,21,24)
InChIKeyZWRXBURVFUSIPN-UHFFFAOYSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)thiourea
CID 42993075
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide (CID 24543222) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is ZWRXBURVFUSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-27-16-6-4-5-15(13-16)7-10-20(24)21-18-14-17(8-9-19(18)23)28(25,26)22-11-2-3-12-22/h4-6,8-9,13-14,23H,2-3,7,10-12H2,1H3,(H,21,24).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 404.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 24543222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).