4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C20H24N4O5S — CID 38534496

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H24N4O5S/c1-15(25)23-10-12-24(13-11-23)30(27,28)18-7-5-16(6-8-18)19(26)22-14-17-4-3-9-21-20(17)29-2/h3-9H,10-14H2,1-2H3,(H,22,26)
InChIKeyRAFVCYNDNNJCLD-UHFFFAOYSA-N
MW432.50 g/mol
LogP0.87
Rot. Bonds6

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 38534496) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID38534496
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H24N4O5S/c1-15(25)23-10-12-24(13-11-23)30(27,28)18-7-5-16(6-8-18)19(26)22-14-17-4-3-9-21-20(17)29-2/h3-9H,10-14H2,1-2H3,(H,22,26)
InChIKeyRAFVCYNDNNJCLD-UHFFFAOYSA-N
XLogP0.87
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 37484983
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 30490743
1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 55780518
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 38534496) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is RAFVCYNDNNJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-15(25)23-10-12-24(13-11-23)30(27,28)18-7-5-16(6-8-18)19(26)22-14-17-4-3-9-21-20(17)29-2/h3-9H,10-14H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 432.50 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 38534496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).