N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide

C14H21N3O5S — CID 2725779

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O5S/c1-21-12-2-4-13(5-3-12)23(19,20)16-7-6-15-14(18)17-8-10-22-11-9-17/h2-5,16H,6-11H2,1H3,(H,15,18)
InChIKeyDBJVVSPHRLZCQB-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.02
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide (PubChem CID 2725779) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide
PubChem CID2725779
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O5S/c1-21-12-2-4-13(5-3-12)23(19,20)16-7-6-15-14(18)17-8-10-22-11-9-17/h2-5,16H,6-11H2,1H3,(H,15,18)
InChIKeyDBJVVSPHRLZCQB-UHFFFAOYSA-N
XLogP0.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
3,4-dimethoxy-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810730
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
3-fluoro-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 6471347
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
3-[(4-methoxyphenyl)sulfonyl]-N,N,2-trimethylimidazolidine-1-carboxamide
CID 6498838
4-[2-(Morpholin-4-yl)ethoxy]benzene-1-sulfonamide
CID 18971452
4-(4-Methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 753490
Ethyl 4-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-1-piperazinecarboxylate
CID 1083022

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide (CID 2725779) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide is COc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
The InChIKey is DBJVVSPHRLZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-21-12-2-4-13(5-3-12)23(19,20)16-7-6-15-14(18)17-8-10-22-11-9-17/h2-5,16H,6-11H2,1H3,(H,15,18).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 2725779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).