N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C16H24N2O4S — CID 27211523

IUPACN-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC
InChIInChI=1S/C16H24N2O4S/c1-4-16(19)17-14-11-13(5-6-15(14)22-3)23(20,21)18-9-7-12(2)8-10-18/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyGKHIFKYLASYEPK-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.46
Rot. Bonds5

About N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 27211523) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID27211523
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC
InChIInChI=1S/C16H24N2O4S/c1-4-16(19)17-14-11-13(5-6-15(14)22-3)23(20,21)18-9-7-12(2)8-10-18/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyGKHIFKYLASYEPK-UHFFFAOYSA-N
XLogP2.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
[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
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50767589
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717539
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 66291596
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 27211523) is N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is GKHIFKYLASYEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-16(19)17-14-11-13(5-6-15(14)22-3)23(20,21)18-9-7-12(2)8-10-18/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 2.46, 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-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 27211523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).