N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide

C19H30N4O4S2 — CID 4840256

IUPACN-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H30N4O4S2/c1-21-6-8-22(9-7-21)18-4-3-16(15-17(18)20-19(24)5-14-28-2)29(25,26)23-10-12-27-13-11-23/h3-4,15H,5-14H2,1-2H3,(H,20,24)
InChIKeyNPKMVXKPVVWNEY-UHFFFAOYSA-N
MW442.61 g/mol
LogP1.15
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide

N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide (PubChem CID 4840256) has the molecular formula C19H30N4O4S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
PubChem CID4840256
Molecular FormulaC19H30N4O4S2
Molecular Weight442.61 g/mol
Exact Mass442.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H30N4O4S2/c1-21-6-8-22(9-7-21)18-4-3-16(15-17(18)20-19(24)5-14-28-2)29(25,26)23-10-12-27-13-11-23/h3-4,15H,5-14H2,1-2H3,(H,20,24)
InChIKeyNPKMVXKPVVWNEY-UHFFFAOYSA-N
XLogP1.15
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide (CID 4840256) is N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
The InChIKey is NPKMVXKPVVWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S2/c1-21-6-8-22(9-7-21)18-4-3-16(15-17(18)20-19(24)5-14-28-2)29(25,26)23-10-12-27-13-11-23/h3-4,15H,5-14H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide has a molecular weight of 442.61 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 4840256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).