N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide

C18H27N3O4S — CID 119697590

IUPACN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c22-18(12-17-6-3-7-19-17)20-13-15-4-1-2-5-16(15)14-26(23,24)21-8-10-25-11-9-21/h1-2,4-5,17,19H,3,6-14H2,(H,20,22)
InChIKeyOGPUZJFHVUNZGJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.61
Rot. Bonds7

About N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119697590) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119697590
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c22-18(12-17-6-3-7-19-17)20-13-15-4-1-2-5-16(15)14-26(23,24)21-8-10-25-11-9-21/h1-2,4-5,17,19H,3,6-14H2,(H,20,22)
InChIKeyOGPUZJFHVUNZGJ-UHFFFAOYSA-N
XLogP0.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119275550
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 60596872
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119845632
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119697590) is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is OGPUZJFHVUNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-18(12-17-6-3-7-19-17)20-13-15-4-1-2-5-16(15)14-26(23,24)21-8-10-25-11-9-21/h1-2,4-5,17,19H,3,6-14H2,(H,20,22).
What are the key properties of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 381.50 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119697590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).