N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide

C22H31N3O6S2 — CID 92675116

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H31N3O6S2/c1-15(2)17-7-9-18(10-8-17)25(32(6,27)28)14-22(26)23-20-13-19(11-12-21(20)31-5)33(29,30)24-16(3)4/h7-13,15-16,24H,14H2,1-6H3,(H,23,26)
InChIKeyKSUDBYKVSXYHTC-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.91
Rot. Bonds10

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide (PubChem CID 92675116) has the molecular formula C22H31N3O6S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
PubChem CID92675116
Molecular FormulaC22H31N3O6S2
Molecular Weight497.64 g/mol
Exact Mass497.17
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H31N3O6S2/c1-15(2)17-7-9-18(10-8-17)25(32(6,27)28)14-22(26)23-20-13-19(11-12-21(20)31-5)33(29,30)24-16(3)4/h7-13,15-16,24H,14H2,1-6H3,(H,23,26)
InChIKeyKSUDBYKVSXYHTC-UHFFFAOYSA-N
XLogP2.91
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 46763080
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92676515
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901876
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
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
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
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43900674
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43876537
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43885181

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide (CID 92675116) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?
The InChIKey is KSUDBYKVSXYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S2/c1-15(2)17-7-9-18(10-8-17)25(32(6,27)28)14-22(26)23-20-13-19(11-12-21(20)31-5)33(29,30)24-16(3)4/h7-13,15-16,24H,14H2,1-6H3,(H,23,26).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide has a molecular weight of 497.64 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 92675116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).