N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide

C21H27N3OS — CID 46229144

IUPACN-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide
SMILESCC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc21)C(C)C
InChIInChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25)
InChIKeyVQXSEHDYYUTOPV-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.12
Rot. Bonds5

About N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide (PubChem CID 46229144) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide
PubChem CID46229144
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide
SMILESCC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc21)C(C)C
InChIInChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25)
InChIKeyVQXSEHDYYUTOPV-UHFFFAOYSA-N
XLogP5.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide (CID 46229144) is N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide is CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc21)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide?
The InChIKey is VQXSEHDYYUTOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 46229144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).