N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C20H22Cl2N2O5S — CID 46820089

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-13(16-5-3-14(21)11-18(16)22)23-20(25)17-12-15(4-6-19(17)28-2)30(26,27)24-7-9-29-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)
InChIKeyHVPXHPZYGIZCQQ-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 46820089) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID46820089
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-13(16-5-3-14(21)11-18(16)22)23-20(25)17-12-15(4-6-19(17)28-2)30(26,27)24-7-9-29-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)
InChIKeyHVPXHPZYGIZCQQ-UHFFFAOYSA-N
XLogP3.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43885091
5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzamide
CID 93486725
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55903780
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133217613

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 46820089) is N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HVPXHPZYGIZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-13(16-5-3-14(21)11-18(16)22)23-20(25)17-12-15(4-6-19(17)28-2)30(26,27)24-7-9-29-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 473.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46820089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).