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

C14H21N3O4S — CID 650678

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O4S/c1-12-2-4-13(5-3-12)22(19,20)16-7-6-15-14(18)17-8-10-21-11-9-17/h2-5,16H,6-11H2,1H3,(H,15,18)
InChIKeyLYFHMVSNMSNNQD-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.32
Rot. Bonds5

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

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide (PubChem CID 650678) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide
PubChem CID650678
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O4S/c1-12-2-4-13(5-3-12)22(19,20)16-7-6-15-14(18)17-8-10-21-11-9-17/h2-5,16H,6-11H2,1H3,(H,15,18)
InChIKeyLYFHMVSNMSNNQD-UHFFFAOYSA-N
XLogP0.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide (CID 650678) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
The InChIKey is LYFHMVSNMSNNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-12-2-4-13(5-3-12)22(19,20)16-7-6-15-14(18)17-8-10-21-11-9-17/h2-5,16H,6-11H2,1H3,(H,15,18).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 650678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).