2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C22H25N3O4S — CID 55414866

IUPAC2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C22H25N3O4S/c1-16-7-8-19(30(27,28)24-9-11-29-12-10-24)14-20(16)23-22(26)15-25-17(2)13-18-5-3-4-6-21(18)25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,26)
InChIKeyIDXBOLQOBCRGKM-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 55414866) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID55414866
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C22H25N3O4S/c1-16-7-8-19(30(27,28)24-9-11-29-12-10-24)14-20(16)23-22(26)15-25-17(2)13-18-5-3-4-6-21(18)25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,26)
InChIKeyIDXBOLQOBCRGKM-UHFFFAOYSA-N
XLogP2.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16566391
2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 16566576
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24524441
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24981479
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 7818357
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7434884
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 55414866) is 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(C)cc2ccccc21.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is IDXBOLQOBCRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-16-7-8-19(30(27,28)24-9-11-29-12-10-24)14-20(16)23-22(26)15-25-17(2)13-18-5-3-4-6-21(18)25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55414866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).