2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide

C17H26N2O4S — CID 110290796

IUPAC2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C17H26N2O4S/c1-4-13(5-2)17(20)18-15-12-14(8-9-16(15)23-3)24(21,22)19-10-6-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyMCZYYUKLGZOJNX-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.85
Rot. Bonds7

About 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide

2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 110290796) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID110290796
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C17H26N2O4S/c1-4-13(5-2)17(20)18-15-12-14(8-9-16(15)23-3)24(21,22)19-10-6-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyMCZYYUKLGZOJNX-UHFFFAOYSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100756589
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 132612337
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
CID 92679610
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100704123
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 43916225
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 43904512
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 110290796) is 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide is CCC(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC.
What is the InChIKey of 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is MCZYYUKLGZOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-13(5-2)17(20)18-15-12-14(8-9-16(15)23-3)24(21,22)19-10-6-7-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 354.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 110290796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).