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

C24H32N4O4S — CID 4967538

IUPACN-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide
SMILESCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H32N4O4S/c1-26-11-13-27(14-12-26)23-9-8-21(33(30,31)28-15-17-32-18-16-28)19-22(23)25-24(29)10-7-20-5-3-2-4-6-20/h2-6,8-9,19H,7,10-18H2,1H3,(H,25,29)
InChIKeyZVBFENHLSXUSOD-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.03
Rot. Bonds7

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

N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide (PubChem CID 4967538) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide
PubChem CID4967538
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide
SMILESCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H32N4O4S/c1-26-11-13-27(14-12-26)23-9-8-21(33(30,31)28-15-17-32-18-16-28)19-22(23)25-24(29)10-7-20-5-3-2-4-6-20/h2-6,8-9,19H,7,10-18H2,1H3,(H,25,29)
InChIKeyZVBFENHLSXUSOD-UHFFFAOYSA-N
XLogP2.03
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 2811587
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CID 1010558
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CID 3519434
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CID 3898052
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CID 3959591
CID 3959591
CID 4173596
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CID 4296426
CID 4296426
CID 4847616
CID 4847616
CID 1138680
CID 1138680
CID 16282216
CID 16282216
CID 56954220
CID 56954220
CID 145954929
CID 145954929

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide (CID 4967538) is N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide is CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide?
The InChIKey is ZVBFENHLSXUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-26-11-13-27(14-12-26)23-9-8-21(33(30,31)28-15-17-32-18-16-28)19-22(23)25-24(29)10-7-20-5-3-2-4-6-20/h2-6,8-9,19H,7,10-18H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide?
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide has a molecular weight of 472.61 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide is sourced from PubChem (CID 4967538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).