2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

C25H31N3O4S — CID 16566576

IUPAC2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C25H31N3O4S/c1-18(2)32-24-12-11-21(33(30,31)27-13-7-4-8-14-27)16-22(24)26-25(29)17-28-19(3)15-20-9-5-6-10-23(20)28/h5-6,9-12,15-16,18H,4,7-8,13-14,17H2,1-3H3,(H,26,29)
InChIKeyCQENIRNMMBDPGZ-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.55
Rot. Bonds7

About 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide (PubChem CID 16566576) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
PubChem CID16566576
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C25H31N3O4S/c1-18(2)32-24-12-11-21(33(30,31)27-13-7-4-8-14-27)16-22(24)26-25(29)17-28-19(3)15-20-9-5-6-10-23(20)28/h5-6,9-12,15-16,18H,4,7-8,13-14,17H2,1-3H3,(H,26,29)
InChIKeyCQENIRNMMBDPGZ-UHFFFAOYSA-N
XLogP4.55
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
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N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
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2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41104810
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide (CID 16566576) is 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide is Cc1cc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
The InChIKey is CQENIRNMMBDPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-18(2)32-24-12-11-21(33(30,31)27-13-7-4-8-14-27)16-22(24)26-25(29)17-28-19(3)15-20-9-5-6-10-23(20)28/h5-6,9-12,15-16,18H,4,7-8,13-14,17H2,1-3H3,(H,26,29).
What are the key properties of 2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide?
2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 4.55, 7 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-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 16566576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).