N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide

C16H22N2O4S — CID 91766122

IUPACN-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N2O4S/c19-16(17-13-5-11-23(20,21)12-6-13)14-3-1-2-4-15(14)18-7-9-22-10-8-18/h1-4,13H,5-12H2,(H,17,19)
InChIKeyYRINFBVBADFJIN-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.83
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide

N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide (PubChem CID 91766122) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
PubChem CID91766122
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N2O4S/c19-16(17-13-5-11-23(20,21)12-6-13)14-3-1-2-4-15(14)18-7-9-22-10-8-18/h1-4,13H,5-12H2,(H,17,19)
InChIKeyYRINFBVBADFJIN-UHFFFAOYSA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride
CID 154888710
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
CID 131939372
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
CID 131931836
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide (CID 91766122) is N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide is O=C(NC1CCS(=O)(=O)CC1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide?
The InChIKey is YRINFBVBADFJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-16(17-13-5-11-23(20,21)12-6-13)14-3-1-2-4-15(14)18-7-9-22-10-8-18/h1-4,13H,5-12H2,(H,17,19).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide?
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide has a molecular weight of 338.43 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 91766122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).