N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide

C14H20N4O4S — CID 121018545

IUPACN-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESCN1c2ccccc2N(CCNC(=O)N2CCOCC2)S1(=O)=O
InChIInChI=1S/C14H20N4O4S/c1-16-12-4-2-3-5-13(12)18(23(16,20)21)7-6-15-14(19)17-8-10-22-11-9-17/h2-5H,6-11H2,1H3,(H,15,19)
InChIKeyKHJCGPRNOVUKSZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.23
Rot. Bonds3

About N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide

N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide (PubChem CID 121018545) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide
PubChem CID121018545
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESCN1c2ccccc2N(CCNC(=O)N2CCOCC2)S1(=O)=O
InChIInChI=1S/C14H20N4O4S/c1-16-12-4-2-3-5-13(12)18(23(16,20)21)7-6-15-14(19)17-8-10-22-11-9-17/h2-5H,6-11H2,1H3,(H,15,19)
InChIKeyKHJCGPRNOVUKSZ-UHFFFAOYSA-N
XLogP0.23
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide (CID 121018545) is N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide is CN1c2ccccc2N(CCNC(=O)N2CCOCC2)S1(=O)=O.
What is the InChIKey of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is KHJCGPRNOVUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-16-12-4-2-3-5-13(12)18(23(16,20)21)7-6-15-14(19)17-8-10-22-11-9-17/h2-5H,6-11H2,1H3,(H,15,19).
What are the key properties of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide?
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 121018545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).