N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide

C16H23N3O5S — CID 119790367

IUPACN-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CNCCO2)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H23N3O5S/c1-23-13-10-12(18-16(20)14-11-17-6-9-24-14)4-5-15(13)25(21,22)19-7-2-3-8-19/h4-5,10,14,17H,2-3,6-9,11H2,1H3,(H,18,20)
InChIKeyDTJCHLMMZWZBQA-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.41
Rot. Bonds5

About N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide

N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide (PubChem CID 119790367) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide
PubChem CID119790367
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CNCCO2)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H23N3O5S/c1-23-13-10-12(18-16(20)14-11-17-6-9-24-14)4-5-15(13)25(21,22)19-7-2-3-8-19/h4-5,10,14,17H,2-3,6-9,11H2,1H3,(H,18,20)
InChIKeyDTJCHLMMZWZBQA-UHFFFAOYSA-N
XLogP0.41
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119679004
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723387
(2R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 8800265
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
CID 119865052
2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 86955889
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide
CID 167936199

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide?
The IUPAC name of N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide (CID 119790367) is N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide?
The canonical SMILES for N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide is COc1cc(NC(=O)C2CNCCO2)ccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide?
The InChIKey is DTJCHLMMZWZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-23-13-10-12(18-16(20)14-11-17-6-9-24-14)4-5-15(13)25(21,22)19-7-2-3-8-19/h4-5,10,14,17H,2-3,6-9,11H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide?
N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 119790367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).