methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate

C17H25N3O5S — CID 55463879

IUPACmethyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
SMILESCOC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C17H25N3O5S/c1-24-17(21)13-18-15-12-14(4-5-16(15)19-6-2-3-7-19)26(22,23)20-8-10-25-11-9-20/h4-5,12,18H,2-3,6-11,13H2,1H3
InChIKeyKUGPJDINALOWEC-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.89
Rot. Bonds6

About methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate

methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate (PubChem CID 55463879) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
PubChem CID55463879
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Namemethyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
SMILESCOC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C17H25N3O5S/c1-24-17(21)13-18-15-12-14(4-5-16(15)19-6-2-3-7-19)26(22,23)20-8-10-25-11-9-20/h4-5,12,18H,2-3,6-11,13H2,1H3
InChIKeyKUGPJDINALOWEC-UHFFFAOYSA-N
XLogP0.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 55345467
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4839885
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)ethanone
CID 55345468
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate
CID 24624008
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
1-ethyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 4829989
N-(2-methylcyclohexyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346771

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate?
The IUPAC name of methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate (CID 55463879) is methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate.
What is the SMILES notation for methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate?
The canonical SMILES for methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate is COC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate?
The InChIKey is KUGPJDINALOWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-24-17(21)13-18-15-12-14(4-5-16(15)19-6-2-3-7-19)26(22,23)20-8-10-25-11-9-20/h4-5,12,18H,2-3,6-11,13H2,1H3.
What are the key properties of methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate?
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate has a molecular weight of 383.47 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate is sourced from PubChem (CID 55463879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).