N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C16H20N4O5S — CID 110629432

IUPACN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1noc(C)n1
InChIInChI=1S/C16H20N4O5S/c1-11-17-15(19-25-11)10-16(21)18-13-9-12(5-6-14(13)24-2)26(22,23)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyBOEJSZDAPKRDOY-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.35
Rot. Bonds6

About N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110629432) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110629432
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1noc(C)n1
InChIInChI=1S/C16H20N4O5S/c1-11-17-15(19-25-11)10-16(21)18-13-9-12(5-6-14(13)24-2)26(22,23)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyBOEJSZDAPKRDOY-UHFFFAOYSA-N
XLogP1.35
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
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-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16603344
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110629432) is N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1noc(C)n1.
What is the InChIKey of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is BOEJSZDAPKRDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-11-17-15(19-25-11)10-16(21)18-13-9-12(5-6-14(13)24-2)26(22,23)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110629432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).