N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide

C21H26N2O6S — CID 55625600

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H26N2O6S/c1-15(17-9-8-16(27-2)14-19(17)28-3)22-21(24)18-6-4-5-7-20(18)30(25,26)23-10-12-29-13-11-23/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeySIOUYJOTXFYAHZ-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.22
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55625600) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55625600
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H26N2O6S/c1-15(17-9-8-16(27-2)14-19(17)28-3)22-21(24)18-6-4-5-7-20(18)30(25,26)23-10-12-29-13-11-23/h4-9,14-15H,10-13H2,1-3H3,(H,22,24)
InChIKeySIOUYJOTXFYAHZ-UHFFFAOYSA-N
XLogP2.22
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55588295
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
methyl 2-[4-[1-(2,4-dimethoxyphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55579519
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55579424
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide (CID 55625600) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(C)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SIOUYJOTXFYAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-15(17-9-8-16(27-2)14-19(17)28-3)22-21(24)18-6-4-5-7-20(18)30(25,26)23-10-12-29-13-11-23/h4-9,14-15H,10-13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 434.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55625600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).