2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one

C23H27N3O5S — CID 42894695

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)c2c(C)[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-15-22(18-6-4-5-7-19(18)25-15)23(27)16(2)24-17-8-9-20(30-3)21(14-17)32(28,29)26-10-12-31-13-11-26/h4-9,14,16,24-25H,10-13H2,1-3H3
InChIKeyDPOVDAKSNVCIJF-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.19
Rot. Bonds7

About 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one

2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 42894695) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID42894695
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)c2c(C)[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-15-22(18-6-4-5-7-19(18)25-15)23(27)16(2)24-17-8-9-20(30-3)21(14-17)32(28,29)26-10-12-31-13-11-26/h4-9,14,16,24-25H,10-13H2,1-3H3
InChIKeyDPOVDAKSNVCIJF-UHFFFAOYSA-N
XLogP3.19
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one
CID 16958500
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 43876928
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 42894695) is 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one is COc1ccc(NC(C)C(=O)c2c(C)[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is DPOVDAKSNVCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-15-22(18-6-4-5-7-19(18)25-15)23(27)16(2)24-17-8-9-20(30-3)21(14-17)32(28,29)26-10-12-31-13-11-26/h4-9,14,16,24-25H,10-13H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 457.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 42894695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).