N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide

C25H34N4O3S — CID 159514763

IUPACN-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide
SMILESCc1ccc2c(c1)N(CCCN1CCN(CC(=O)NC[C@H](O)CO)CC1)c1ccccc1S2
InChIInChI=1S/C25H34N4O3S/c1-19-7-8-24-22(15-19)29(21-5-2-3-6-23(21)33-24)10-4-9-27-11-13-28(14-12-27)17-25(32)26-16-20(31)18-30/h2-3,5-8,15,20,30-31H,4,9-14,16-18H2,1H3,(H,26,32)/t20-/m0/s1
InChIKeyMBAUUZBBRWJBSR-FQEVSTJZSA-N
MW470.64 g/mol
LogP2.07
Rot. Bonds9

About N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide

N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide (PubChem CID 159514763) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide
PubChem CID159514763
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide
SMILESCc1ccc2c(c1)N(CCCN1CCN(CC(=O)NC[C@H](O)CO)CC1)c1ccccc1S2
InChIInChI=1S/C25H34N4O3S/c1-19-7-8-24-22(15-19)29(21-5-2-3-6-23(21)33-24)10-4-9-27-11-13-28(14-12-27)17-25(32)26-16-20(31)18-30/h2-3,5-8,15,20,30-31H,4,9-14,16-18H2,1H3,(H,26,32)/t20-/m0/s1
InChIKeyMBAUUZBBRWJBSR-FQEVSTJZSA-N
XLogP2.07
TPSA79.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]propane-1,2-diol
CID 160894276
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
2-(hydroxymethyl)-3-[[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]acetyl]amino]propanamide
CID 170106821
bis((Z)-but-2-enedioic acid);2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 25111881
N-[2-[4-[3-[2-(difluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-2-(methylamino)acetamide
CID 70929070
N-[2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-1-yl]ethyl]butanamide
CID 58080967
4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine
CID 135264183
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
(E)-but-2-enedioic acid;1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
CID 6433445
2-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]-1-phenylpropan-1-one
CID 134962845
1-[10-[3-[4-(1,1,2,2-tetradeuterio-2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]propan-1-one
CID 71314571
2-amino-N-[2-[4-[3-[2-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 143928773

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide (CID 159514763) is N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide is Cc1ccc2c(c1)N(CCCN1CCN(CC(=O)NC[C@H](O)CO)CC1)c1ccccc1S2.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide?
The InChIKey is MBAUUZBBRWJBSR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-19-7-8-24-22(15-19)29(21-5-2-3-6-23(21)33-24)10-4-9-27-11-13-28(14-12-27)17-25(32)26-16-20(31)18-30/h2-3,5-8,15,20,30-31H,4,9-14,16-18H2,1H3,(H,26,32)/t20-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide?
N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide has a molecular weight of 470.64 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 159514763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).