N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide

C21H26N4O4S — CID 55814619

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)c1
InChIInChI=1S/C21H26N4O4S/c1-4-10-23-30(27,28)19-7-5-6-17(11-19)21(26)24-18-8-9-20(22-12-18)25-13-15(2)29-16(3)14-25/h4-9,11-12,15-16,23H,1,10,13-14H2,2-3H3,(H,24,26)
InChIKeyMFYLGSXGURNCQO-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.41
Rot. Bonds7

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55814619) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55814619
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)c1
InChIInChI=1S/C21H26N4O4S/c1-4-10-23-30(27,28)19-7-5-6-17(11-19)21(26)24-18-8-9-20(22-12-18)25-13-15(2)29-16(3)14-25/h4-9,11-12,15-16,23H,1,10,13-14H2,2-3H3,(H,24,26)
InChIKeyMFYLGSXGURNCQO-UHFFFAOYSA-N
XLogP2.41
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
CID 55844468
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710370
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24610745
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 71850107
3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide
CID 55814556
N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 134037441
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92535118

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 55814619) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)c1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is MFYLGSXGURNCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-4-10-23-30(27,28)19-7-5-6-17(11-19)21(26)24-18-8-9-20(22-12-18)25-13-15(2)29-16(3)14-25/h4-9,11-12,15-16,23H,1,10,13-14H2,2-3H3,(H,24,26).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 430.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55814619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).