N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide

C27H28N4O3S — CID 37151951

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C27H28N4O3S/c32-26(13-14-31-22-5-1-3-7-24(22)35-25-8-4-2-6-23(25)31)28-20-9-11-21(12-10-20)29-27(33)19-30-15-17-34-18-16-30/h1-12H,13-19H2,(H,28,32)(H,29,33)
InChIKeySKPBGEUUQHVIFB-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.59
Rot. Bonds7

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide (PubChem CID 37151951) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
PubChem CID37151951
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C27H28N4O3S/c32-26(13-14-31-22-5-1-3-7-24(22)35-25-8-4-2-6-23(25)31)28-20-9-11-21(12-10-20)29-27(33)19-30-15-17-34-18-16-30/h1-12H,13-19H2,(H,28,32)(H,29,33)
InChIKeySKPBGEUUQHVIFB-UHFFFAOYSA-N
XLogP4.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide 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-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
CID 2106288
3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
CID 55658366
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 51126229
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide (CID 37151951) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide is O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide?
The InChIKey is SKPBGEUUQHVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c32-26(13-14-31-22-5-1-3-7-24(22)35-25-8-4-2-6-23(25)31)28-20-9-11-21(12-10-20)29-27(33)19-30-15-17-34-18-16-30/h1-12H,13-19H2,(H,28,32)(H,29,33).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide has a molecular weight of 488.61 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 37151951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).