N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide

C18H31N5O3S — CID 55346764

IUPACN-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H31N5O3S/c1-6-22(14-17(24)20-18(2,3)4)16-8-7-15(13-19-16)27(25,26)23-11-9-21(5)10-12-23/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,24)
InChIKeyHXZCNZDSNKOWCE-UHFFFAOYSA-N
MW397.55 g/mol
LogP0.76
Rot. Bonds6

About N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide

N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide (PubChem CID 55346764) has the molecular formula C18H31N5O3S and a molecular weight of 397.55 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide
PubChem CID55346764
Molecular FormulaC18H31N5O3S
Molecular Weight397.55 g/mol
Exact Mass397.21
IUPAC NameN-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H31N5O3S/c1-6-22(14-17(24)20-18(2,3)4)16-8-7-15(13-19-16)27(25,26)23-11-9-21(5)10-12-23/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,24)
InChIKeyHXZCNZDSNKOWCE-UHFFFAOYSA-N
XLogP0.76
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282
2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4841714
N-tert-butyl-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9113092
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 4877465
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17426488
N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133309603
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-(4-fluorophenyl)-2-[methyl-(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195440
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide (CID 55346764) is N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide?
The InChIKey is HXZCNZDSNKOWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3S/c1-6-22(14-17(24)20-18(2,3)4)16-8-7-15(13-19-16)27(25,26)23-11-9-21(5)10-12-23/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,24).
What are the key properties of N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide has a molecular weight of 397.55 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 55346764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).