N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C17H25N3O4S — CID 119275550

IUPACN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCCN1
InChIInChI=1S/C17H25N3O4S/c21-17(16-6-3-7-18-16)19-12-14-4-1-2-5-15(14)13-25(22,23)20-8-10-24-11-9-20/h1-2,4-5,16,18H,3,6-13H2,(H,19,21)
InChIKeyXBJXQGMAZSYOIQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.22
Rot. Bonds6

About N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119275550) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119275550
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCCN1
InChIInChI=1S/C17H25N3O4S/c21-17(16-6-3-7-18-16)19-12-14-4-1-2-5-15(14)13-25(22,23)20-8-10-24-11-9-20/h1-2,4-5,16,18H,3,6-13H2,(H,19,21)
InChIKeyXBJXQGMAZSYOIQ-UHFFFAOYSA-N
XLogP0.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119697590
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955206
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 119275550) is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCCN1.
What is the InChIKey of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XBJXQGMAZSYOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(16-6-3-7-18-16)19-12-14-4-1-2-5-15(14)13-25(22,23)20-8-10-24-11-9-20/h1-2,4-5,16,18H,3,6-13H2,(H,19,21).
What are the key properties of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.22, 6 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119275550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).