(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide

C23H33N5O3S — CID 25395998

IUPAC(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C23H33N5O3S/c1-17(2)15-21(26-32(30,31)20-8-5-18(3)6-9-20)23(29)25-19-7-10-22(24-16-19)28-13-11-27(4)12-14-28/h5-10,16-17,21,26H,11-15H2,1-4H3,(H,25,29)/t21-/m0/s1
InChIKeyJDLFMDMMCZTKCY-NRFANRHFSA-N
MW459.62 g/mol
LogP2.47
Rot. Bonds8

About (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide

(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide (PubChem CID 25395998) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
PubChem CID25395998
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C23H33N5O3S/c1-17(2)15-21(26-32(30,31)20-8-5-18(3)6-9-20)23(29)25-19-7-10-22(24-16-19)28-13-11-27(4)12-14-28/h5-10,16-17,21,26H,11-15H2,1-4H3,(H,25,29)/t21-/m0/s1
InChIKeyJDLFMDMMCZTKCY-NRFANRHFSA-N
XLogP2.47
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 155168537
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide
CID 60580157
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pentanamide
CID 56557800
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 55561341
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
CID 24628746
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 26592832
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide (CID 25395998) is (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1.
What is the InChIKey of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
The InChIKey is JDLFMDMMCZTKCY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-17(2)15-21(26-32(30,31)20-8-5-18(3)6-9-20)23(29)25-19-7-10-22(24-16-19)28-13-11-27(4)12-14-28/h5-10,16-17,21,26H,11-15H2,1-4H3,(H,25,29)/t21-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide?
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide has a molecular weight of 459.62 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 25395998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).