N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C21H26N2O5S — CID 43908455

IUPACN-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C21H26N2O5S/c1-3-28-20-7-5-4-6-17(20)15-22-21(24)19-14-18(9-8-16(19)2)29(25,26)23-10-12-27-13-11-23/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24)
InChIKeyRQTSRIJYEUEBNS-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.34
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43908455) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43908455
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C21H26N2O5S/c1-3-28-20-7-5-4-6-17(20)15-22-21(24)19-14-18(9-8-16(19)2)29(25,26)23-10-12-27-13-11-23/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24)
InChIKeyRQTSRIJYEUEBNS-UHFFFAOYSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41218768
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41218773
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 86954311
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
CID 26861417
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 43908455) is N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RQTSRIJYEUEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-28-20-7-5-4-6-17(20)15-22-21(24)19-14-18(9-8-16(19)2)29(25,26)23-10-12-27-13-11-23/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43908455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).