2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide

C22H30N4O3S — CID 16599046

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H30N4O3S/c27-22(23-21-10-9-19-7-3-4-8-20(19)17-21)18-24-13-15-26(16-14-24)30(28,29)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16,18H2,(H,23,27)
InChIKeyZABDMWSPOXGERT-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide (PubChem CID 16599046) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
PubChem CID16599046
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H30N4O3S/c27-22(23-21-10-9-19-7-3-4-8-20(19)17-21)18-24-13-15-26(16-14-24)30(28,29)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16,18H2,(H,23,27)
InChIKeyZABDMWSPOXGERT-UHFFFAOYSA-N
XLogP2.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16599033
N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2096822
propan-2-yl 4-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 16599192
N-(5-acetamido-2-methoxyphenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide
CID 16599233
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide
CID 134249863
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 16599044
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide (CID 16599046) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide is O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is ZABDMWSPOXGERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c27-22(23-21-10-9-19-7-3-4-8-20(19)17-21)18-24-13-15-26(16-14-24)30(28,29)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16,18H2,(H,23,27).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 430.57 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 16599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).