N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide

C22H20N2O2S — CID 1390143

IUPACN-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide
SMILESCOc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2S/c1-26-17-12-10-16(11-13-17)14-15-23-22(25)24-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)24/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyHEVHPZQKXQRGSB-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.25
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide

N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide (PubChem CID 1390143) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide
PubChem CID1390143
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide
SMILESCOc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2S/c1-26-17-12-10-16(11-13-17)14-15-23-22(25)24-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)24/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyHEVHPZQKXQRGSB-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide (CID 1390143) is N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide is COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide?
The InChIKey is HEVHPZQKXQRGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-26-17-12-10-16(11-13-17)14-15-23-22(25)24-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)24/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 1390143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).