2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C21H26ClN3O7S2 — CID 43896030

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O7S2/c1-15-4-5-16(12-18(15)22)25(33(3,27)28)14-21(26)23-19-13-17(6-7-20(19)31-2)34(29,30)24-8-10-32-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyQITBQNSPBFSKKO-UHFFFAOYSA-N
MW532.04 g/mol
LogP2.08
Rot. Bonds8

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43896030) has the molecular formula C21H26ClN3O7S2 and a molecular weight of 532.04 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID43896030
Molecular FormulaC21H26ClN3O7S2
Molecular Weight532.04 g/mol
Exact Mass531.09
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O7S2/c1-15-4-5-16(12-18(15)22)25(33(3,27)28)14-21(26)23-19-13-17(6-7-20(19)31-2)34(29,30)24-8-10-32-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyQITBQNSPBFSKKO-UHFFFAOYSA-N
XLogP2.08
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.04
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30276982
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220054
4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 43901012
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896028
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896334
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893702
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43901000
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998394
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896296

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 43896030) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is QITBQNSPBFSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O7S2/c1-15-4-5-16(12-18(15)22)25(33(3,27)28)14-21(26)23-19-13-17(6-7-20(19)31-2)34(29,30)24-8-10-32-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 532.04 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43896030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).