N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide

C15H22N2O4S2 — CID 55823578

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C15H22N2O4S2/c1-2-9-22-11-15(19)16-13-10-12(5-6-14(13)18)23(20,21)17-7-3-4-8-17/h5-6,10,18H,2-4,7-9,11H2,1H3,(H,16,19)
InChIKeyCTHWTPHIAOQAHV-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.26
Rot. Bonds7

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide (PubChem CID 55823578) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
PubChem CID55823578
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C15H22N2O4S2/c1-2-9-22-11-15(19)16-13-10-12(5-6-14(13)18)23(20,21)17-7-3-4-8-17/h5-6,10,18H,2-4,7-9,11H2,1H3,(H,16,19)
InChIKeyCTHWTPHIAOQAHV-UHFFFAOYSA-N
XLogP2.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 120872676
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 29265075
2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
CID 43035130
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
N-[3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55649543
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24540288
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
CID 24543222

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide (CID 55823578) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide is CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide?
The InChIKey is CTHWTPHIAOQAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-2-9-22-11-15(19)16-13-10-12(5-6-14(13)18)23(20,21)17-7-3-4-8-17/h5-6,10,18H,2-4,7-9,11H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide has a molecular weight of 358.49 g/mol, XLogP of 2.26, 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)-2-propylsulfanylacetamide is sourced from PubChem (CID 55823578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).