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

C25H36N4O3S — CID 60580157

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C25H36N4O3S/c1-19(2)16-24(27-33(31,32)23-10-8-20(3)9-11-23)25(30)26-22-7-5-6-21(17-22)18-29-14-12-28(4)13-15-29/h5-11,17,19,24,27H,12-16,18H2,1-4H3,(H,26,30)
InChIKeyAVQHDOQMYVBIEH-UHFFFAOYSA-N
MW472.66 g/mol
LogP3.07
Rot. Bonds9

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

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide (PubChem CID 60580157) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide
PubChem CID60580157
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C25H36N4O3S/c1-19(2)16-24(27-33(31,32)23-10-8-20(3)9-11-23)25(30)26-22-7-5-6-21(17-22)18-29-14-12-28(4)13-15-29/h5-11,17,19,24,27H,12-16,18H2,1-4H3,(H,26,30)
InChIKeyAVQHDOQMYVBIEH-UHFFFAOYSA-N
XLogP3.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide with MolForge

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Related Compounds

(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 26592832
(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
CID 9411090
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
CID 25395998
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(3-methylphenyl)pentanamide
CID 6622401
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide (CID 60580157) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide?
The InChIKey is AVQHDOQMYVBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-19(2)16-24(27-33(31,32)23-10-8-20(3)9-11-23)25(30)26-22-7-5-6-21(17-22)18-29-14-12-28(4)13-15-29/h5-11,17,19,24,27H,12-16,18H2,1-4H3,(H,26,30).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide has a molecular weight of 472.66 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 60580157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).