N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide

C20H21N3O2S — CID 166187619

IUPACN-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide
SMILESCN(C(=O)CCN1c2ccccc2Sc2ccccc21)C1CCNC1=O
InChIInChI=1S/C20H21N3O2S/c1-22(16-10-12-21-20(16)25)19(24)11-13-23-14-6-2-4-8-17(14)26-18-9-5-3-7-15(18)23/h2-9,16H,10-13H2,1H3,(H,21,25)
InChIKeyDYENHCJYQASHHQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide

N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide (PubChem CID 166187619) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide
PubChem CID166187619
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide
SMILESCN(C(=O)CCN1c2ccccc2Sc2ccccc21)C1CCNC1=O
InChIInChI=1S/C20H21N3O2S/c1-22(16-10-12-21-20(16)25)19(24)11-13-23-14-6-2-4-8-17(14)26-18-9-5-3-7-15(18)23/h2-9,16H,10-13H2,1H3,(H,21,25)
InChIKeyDYENHCJYQASHHQ-UHFFFAOYSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide (CID 166187619) is N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide is CN(C(=O)CCN1c2ccccc2Sc2ccccc21)C1CCNC1=O.
What is the InChIKey of N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide?
The InChIKey is DYENHCJYQASHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-22(16-10-12-21-20(16)25)19(24)11-13-23-14-6-2-4-8-17(14)26-18-9-5-3-7-15(18)23/h2-9,16H,10-13H2,1H3,(H,21,25).
What are the key properties of N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide?
N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 166187619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).