N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide

C24H29N3O4S — CID 46510558

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H29N3O4S/c1-3-31-22-12-11-20(16-23(22)32(29,30)26-13-7-4-8-14-26)25-24(28)17-27-18(2)15-19-9-5-6-10-21(19)27/h5-6,9-12,15-16H,3-4,7-8,13-14,17H2,1-2H3,(H,25,28)
InChIKeyIXZBSOWYMAJRON-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.16
Rot. Bonds7

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide (PubChem CID 46510558) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
PubChem CID46510558
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H29N3O4S/c1-3-31-22-12-11-20(16-23(22)32(29,30)26-13-7-4-8-14-26)25-24(28)17-27-18(2)15-19-9-5-6-10-21(19)27/h5-6,9-12,15-16H,3-4,7-8,13-14,17H2,1-2H3,(H,25,28)
InChIKeyIXZBSOWYMAJRON-UHFFFAOYSA-N
XLogP4.16
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34038418
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 16566576
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
CID 24666445
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 17488443
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide (CID 46510558) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide is CCOc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide?
The InChIKey is IXZBSOWYMAJRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-3-31-22-12-11-20(16-23(22)32(29,30)26-13-7-4-8-14-26)25-24(28)17-27-18(2)15-19-9-5-6-10-21(19)27/h5-6,9-12,15-16H,3-4,7-8,13-14,17H2,1-2H3,(H,25,28).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 46510558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).