N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide

C24H33N5O4S — CID 43039440

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C24H33N5O4S/c1-20-3-5-21(6-4-20)18-26(2)24(30)19-27-9-11-28(12-10-27)23-8-7-22(17-25-23)34(31,32)29-13-15-33-16-14-29/h3-8,17H,9-16,18-19H2,1-2H3
InChIKeyKKPAKWWBUTUHDN-UHFFFAOYSA-N
MW487.63 g/mol
LogP1.19
Rot. Bonds7

About N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide

N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 43039440) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID43039440
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C24H33N5O4S/c1-20-3-5-21(6-4-20)18-26(2)24(30)19-27-9-11-28(12-10-27)23-8-7-22(17-25-23)34(31,32)29-13-15-33-16-14-29/h3-8,17H,9-16,18-19H2,1-2H3
InChIKeyKKPAKWWBUTUHDN-UHFFFAOYSA-N
XLogP1.19
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 29469902
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992
2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8749292
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55744204

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide (CID 43039440) is N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is KKPAKWWBUTUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-20-3-5-21(6-4-20)18-26(2)24(30)19-27-9-11-28(12-10-27)23-8-7-22(17-25-23)34(31,32)29-13-15-33-16-14-29/h3-8,17H,9-16,18-19H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 487.63 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43039440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).