N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

C20H24N4O6S — CID 55783602

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1
InChIInChI=1S/C20H24N4O6S/c1-29-10-11-30-19-7-2-15(12-22-19)13-23-20(26)16-3-5-17(6-4-16)31(27,28)24-9-8-21-18(25)14-24/h2-7,12H,8-11,13-14H2,1H3,(H,21,25)(H,23,26)
InChIKeyHAJJSAPYILUJBG-UHFFFAOYSA-N
MW448.50 g/mol
LogP0.16
Rot. Bonds9

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 55783602) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID55783602
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1
InChIInChI=1S/C20H24N4O6S/c1-29-10-11-30-19-7-2-15(12-22-19)13-23-20(26)16-3-5-17(6-4-16)31(27,28)24-9-8-21-18(25)14-24/h2-7,12H,8-11,13-14H2,1H3,(H,21,25)(H,23,26)
InChIKeyHAJJSAPYILUJBG-UHFFFAOYSA-N
XLogP0.16
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55783694
N-[[3-(methoxymethyl)phenyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55727586
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
4-methoxy-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 120703077
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46486198
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55744827
N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30855899
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 24589970
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 55783602) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is COCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is HAJJSAPYILUJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S/c1-29-10-11-30-19-7-2-15(12-22-19)13-23-20(26)16-3-5-17(6-4-16)31(27,28)24-9-8-21-18(25)14-24/h2-7,12H,8-11,13-14H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 448.50 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55783602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).