N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide

C22H26ClN3O6S — CID 2533414

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C22H26ClN3O6S/c1-15-4-6-17(33(29,30)26-8-10-32-11-9-26)13-18(15)22(28)25(2)14-21(27)24-19-12-16(23)5-7-20(19)31-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyWXHCUNKXNOUOLU-UHFFFAOYSA-N
MW495.99 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2533414) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2533414
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C22H26ClN3O6S/c1-15-4-6-17(33(29,30)26-8-10-32-11-9-26)13-18(15)22(28)25(2)14-21(27)24-19-12-16(23)5-7-20(19)31-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyWXHCUNKXNOUOLU-UHFFFAOYSA-N
XLogP2.39
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 55329981
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896030
N-(5-chloro-2-methoxyphenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2656153
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30276982
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 24687814
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892727
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43901000
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide (CID 2533414) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WXHCUNKXNOUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-15-4-6-17(33(29,30)26-8-10-32-11-9-26)13-18(15)22(28)25(2)14-21(27)24-19-12-16(23)5-7-20(19)31-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 495.99 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2533414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).