2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide

C25H29N5O4S — CID 43037992

IUPAC2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H29N5O4S/c31-25(27-22-6-5-20-3-1-2-4-21(20)17-22)19-28-9-11-29(12-10-28)24-8-7-23(18-26-24)35(32,33)30-13-15-34-16-14-30/h1-8,17-18H,9-16,19H2,(H,27,31)
InChIKeyAZOHUFSLYBHFJA-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide

2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide (PubChem CID 43037992) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
PubChem CID43037992
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H29N5O4S/c31-25(27-22-6-5-20-3-1-2-4-21(20)17-22)19-28-9-11-29(12-10-28)24-8-7-23(18-26-24)35(32,33)30-13-15-34-16-14-30/h1-8,17-18H,9-16,19H2,(H,27,31)
InChIKeyAZOHUFSLYBHFJA-UHFFFAOYSA-N
XLogP2.02
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 29469902
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3876207
N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2096822
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16599046
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide (CID 43037992) is 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide is O=C(CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is AZOHUFSLYBHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c31-25(27-22-6-5-20-3-1-2-4-21(20)17-22)19-28-9-11-29(12-10-28)24-8-7-23(18-26-24)35(32,33)30-13-15-34-16-14-30/h1-8,17-18H,9-16,19H2,(H,27,31).
What are the key properties of 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide?
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 495.61 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 43037992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).