N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide

C25H35N5O3S2 — CID 25010511

IUPACN-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
InChIInChI=1S/C25H35N5O3S2/c1-20(31)26-11-14-29-17-15-28(16-18-29)12-6-13-30-22-7-4-5-8-24(22)34-25-10-9-21(19-23(25)30)35(32,33)27(2)3/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,26,31)
InChIKeyHPUSMXBUUUJIOJ-UHFFFAOYSA-N
MW517.72 g/mol
LogP2.68
Rot. Bonds9

About N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 25010511) has the molecular formula C25H35N5O3S2 and a molecular weight of 517.72 g/mol. Its IUPAC name is N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
PubChem CID25010511
Molecular FormulaC25H35N5O3S2
Molecular Weight517.72 g/mol
Exact Mass517.22
IUPAC NameN-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
InChIInChI=1S/C25H35N5O3S2/c1-20(31)26-11-14-29-17-15-28(16-18-29)12-6-13-30-22-7-4-5-8-24(22)34-25-10-9-21(19-23(25)30)35(32,33)27(2)3/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,26,31)
InChIKeyHPUSMXBUUUJIOJ-UHFFFAOYSA-N
XLogP2.68
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

10-[3-(4-butylpiperazin-1-yl)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
CID 90928542
N,N-dimethyl-10-[3-[4-(trideuteriomethyl)piperazin-1-yl]propyl]phenothiazine-2-sulfonamide
CID 71752527
2-amino-N-[2-[4-[3-[2-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 143928773
(2S)-2-acetamido-N-[2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl]butanediamide;2-amino-N-[2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl]acetamide;N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide;5-[2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethoxy]pentan-2-one;N-[2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl]-4-oxopentanamide
CID 158908898
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
decanoic acid;10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide
CID 70091154
3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55621722
N-[2-[4-[3-[2-(difluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-2-(methylamino)acetamide
CID 70929070
2,3-diamino-N-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]propanamide
CID 25008068
10-[3-(4-butylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;N-(2-oxobutyl)acetamide
CID 143928781
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
bis((Z)-but-2-enedioic acid);1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone
CID 24839879

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide (CID 25010511) is N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.
What is the InChIKey of N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is HPUSMXBUUUJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S2/c1-20(31)26-11-14-29-17-15-28(16-18-29)12-6-13-30-22-7-4-5-8-24(22)34-25-10-9-21(19-23(25)30)35(32,33)27(2)3/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,26,31).
What are the key properties of N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 517.72 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 25010511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).