N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide

C18H26N4O5S — CID 16615053

IUPACN-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1NC(C)=O
InChIInChI=1S/C18H26N4O5S/c1-14(23)19-16-13-15(5-6-17(16)27-2)28(25,26)22-11-9-21(10-12-22)18(24)20-7-3-4-8-20/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,23)
InChIKeyQXHJRIKWYVSVGE-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.18
Rot. Bonds4

About N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 16615053) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID16615053
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC NameN-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1NC(C)=O
InChIInChI=1S/C18H26N4O5S/c1-14(23)19-16-13-15(5-6-17(16)27-2)28(25,26)22-11-9-21(10-12-22)18(24)20-7-3-4-8-20/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,23)
InChIKeyQXHJRIKWYVSVGE-UHFFFAOYSA-N
XLogP1.18
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 66291596
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 16615053) is N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is QXHJRIKWYVSVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-14(23)19-16-13-15(5-6-17(16)27-2)28(25,26)22-11-9-21(10-12-22)18(24)20-7-3-4-8-20/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,23).
What are the key properties of N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 16615053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).