N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C21H24N4O4S — CID 110236459

IUPACN-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)cc1NC(C)=O
InChIInChI=1S/C21H24N4O4S/c1-14(26)23-20-11-16(7-8-21(20)29-2)30(27,28)25-10-4-5-15(13-25)18-12-19-17(24-18)6-3-9-22-19/h3,6-9,11-12,15,24H,4-5,10,13H2,1-2H3,(H,23,26)
InChIKeyFFQYQRHLRGZZTI-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.10
Rot. Bonds5

About N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 110236459) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID110236459
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)cc1NC(C)=O
InChIInChI=1S/C21H24N4O4S/c1-14(26)23-20-11-16(7-8-21(20)29-2)30(27,28)25-10-4-5-15(13-25)18-12-19-17(24-18)6-3-9-22-19/h3,6-9,11-12,15,24H,4-5,10,13H2,1-2H3,(H,23,26)
InChIKeyFFQYQRHLRGZZTI-UHFFFAOYSA-N
XLogP3.10
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 92550753
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 66291596
N-[2-methoxy-5-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 99963709
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
N-[2-methoxy-5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 24604869
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16615053
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41339354
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168051

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 110236459) is N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is COc1ccc(S(=O)(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is FFQYQRHLRGZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14(26)23-20-11-16(7-8-21(20)29-2)30(27,28)25-10-4-5-15(13-25)18-12-19-17(24-18)6-3-9-22-19/h3,6-9,11-12,15,24H,4-5,10,13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 110236459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).