2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

C19H24ClN3O6S2 — CID 46763080

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H24ClN3O6S2/c1-13(2)22-31(27,28)16-9-10-18(29-3)17(11-16)21-19(24)12-23(30(4,25)26)15-7-5-14(20)6-8-15/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyGMUVFIWLRAYIMQ-UHFFFAOYSA-N
MW490.00 g/mol
LogP2.44
Rot. Bonds9

About 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 46763080) has the molecular formula C19H24ClN3O6S2 and a molecular weight of 490.00 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID46763080
Molecular FormulaC19H24ClN3O6S2
Molecular Weight490.00 g/mol
Exact Mass489.08
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H24ClN3O6S2/c1-13(2)22-31(27,28)16-9-10-18(29-3)17(11-16)21-19(24)12-23(30(4,25)26)15-7-5-14(20)6-8-15/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyGMUVFIWLRAYIMQ-UHFFFAOYSA-N
XLogP2.44
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 92675116
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92676515
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 92671719
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 92680849
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901876
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902059
2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 30400596
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901959
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43885181
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43900674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 46763080) is 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is GMUVFIWLRAYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O6S2/c1-13(2)22-31(27,28)16-9-10-18(29-3)17(11-16)21-19(24)12-23(30(4,25)26)15-7-5-14(20)6-8-15/h5-11,13,22H,12H2,1-4H3,(H,21,24).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 490.00 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 46763080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).