N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide

C13H18N2O5S — CID 66291596

IUPACN-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1NC(C)=O
InChIInChI=1S/C13H18N2O5S/c1-9(16)14-12-7-11(3-4-13(12)20-2)21(18,19)15-6-5-10(17)8-15/h3-4,7,10,17H,5-6,8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeySOIAQEULFFKHIN-SNVBAGLBSA-N
MW314.36 g/mol
LogP0.41
Rot. Bonds4

About N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide

N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide (PubChem CID 66291596) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
PubChem CID66291596
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1NC(C)=O
InChIInChI=1S/C13H18N2O5S/c1-9(16)14-12-7-11(3-4-13(12)20-2)21(18,19)15-6-5-10(17)8-15/h3-4,7,10,17H,5-6,8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeySOIAQEULFFKHIN-SNVBAGLBSA-N
XLogP0.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16615053
N-[2-methoxy-5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 24604869
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107216444
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
4-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-2-methoxyphenyl]piperazine-1-carbaldehyde
CID 178181443
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide (CID 66291596) is N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1NC(C)=O.
What is the InChIKey of N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
The InChIKey is SOIAQEULFFKHIN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9(16)14-12-7-11(3-4-13(12)20-2)21(18,19)15-6-5-10(17)8-15/h3-4,7,10,17H,5-6,8H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide has a molecular weight of 314.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide is sourced from PubChem (CID 66291596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).