N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C16H24N2O4S — CID 26583598

IUPACN,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O4S/c1-4-17(5-2)16(19)14-7-6-13(3)15(12-14)23(20,21)18-8-10-22-11-9-18/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyIOIUTTSNRMOAPC-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.50
Rot. Bonds5

About N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26583598) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26583598
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O4S/c1-4-17(5-2)16(19)14-7-6-13(3)15(12-14)23(20,21)18-8-10-22-11-9-18/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyIOIUTTSNRMOAPC-UHFFFAOYSA-N
XLogP1.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316004
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-[(4-cyanophenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993802
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 55330320
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568664

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 26583598) is N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide is CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IOIUTTSNRMOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-17(5-2)16(19)14-7-6-13(3)15(12-14)23(20,21)18-8-10-22-11-9-18/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26583598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).