N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C14H20N2O4S — CID 27209925

IUPACN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C14H20N2O4S/c1-3-14(17)15-12-10-11(6-7-13(12)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKeyLXFYEKIMUXUTJL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.83
Rot. Bonds5

About N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 27209925) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID27209925
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C14H20N2O4S/c1-3-14(17)15-12-10-11(6-7-13(12)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKeyLXFYEKIMUXUTJL-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 27209925) is N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC.
What is the InChIKey of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LXFYEKIMUXUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-14(17)15-12-10-11(6-7-13(12)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 27209925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).