N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide

C22H26ClN3O6S — CID 31932817

IUPACN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide
SMILESCCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O6S/c1-3-32-19-7-5-4-6-17(19)22(28)25(2)15-21(27)24-16-8-9-18(23)20(14-16)33(29,30)26-10-12-31-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)
InChIKeyLLNLOSXXHCRUAB-UHFFFAOYSA-N
MW495.99 g/mol
LogP2.47
Rot. Bonds8

About N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide (PubChem CID 31932817) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide
PubChem CID31932817
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC NameN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide
SMILESCCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O6S/c1-3-32-19-7-5-4-6-17(19)22(28)25(2)15-21(27)24-16-8-9-18(23)20(14-16)33(29,30)26-10-12-31-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)
InChIKeyLLNLOSXXHCRUAB-UHFFFAOYSA-N
XLogP2.47
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 43021766
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3,5-difluoro-N-methylbenzamide
CID 26729952
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 26308926
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 42989986
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
CID 27772574
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 16561622
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide (CID 31932817) is N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide is CCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide?
The InChIKey is LLNLOSXXHCRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-3-32-19-7-5-4-6-17(19)22(28)25(2)15-21(27)24-16-8-9-18(23)20(14-16)33(29,30)26-10-12-31-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide?
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide has a molecular weight of 495.99 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide is sourced from PubChem (CID 31932817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).