2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C23H29N3O6S — CID 30271328

IUPAC2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H29N3O6S/c1-17(2)32-19-10-8-18(9-11-19)26(33(3,29)30)16-22(27)24-21-7-5-4-6-20(21)23(28)25-12-14-31-15-13-25/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyVENHGMLSUVGTBU-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.35
Rot. Bonds8

About 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 30271328) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID30271328
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H29N3O6S/c1-17(2)32-19-10-8-18(9-11-19)26(33(3,29)30)16-22(27)24-21-7-5-4-6-20(21)23(28)25-12-14-31-15-13-25/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyVENHGMLSUVGTBU-UHFFFAOYSA-N
XLogP2.35
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 6500029
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2206606
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076398
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2224224
2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126318860
N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30264709
2-(N-methylsulfonyl-3-nitroanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2957206
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 53283272
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 30271328) is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is CC(C)Oc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is VENHGMLSUVGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-17(2)32-19-10-8-18(9-11-19)26(33(3,29)30)16-22(27)24-21-7-5-4-6-20(21)23(28)25-12-14-31-15-13-25/h4-11,17H,12-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 475.57 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 30271328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).