N-tert-butylphenothiazine-10-carboxamide

C17H18N2OS — CID 704261

IUPACN-tert-butylphenothiazine-10-carboxamide
SMILESCC(C)(C)NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-17(2,3)18-16(20)19-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)19/h4-11H,1-3H3,(H,18,20)
InChIKeyVEHORJYPKNVWKA-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.80
Rot. Bonds

About N-tert-butylphenothiazine-10-carboxamide

N-tert-butylphenothiazine-10-carboxamide (PubChem CID 704261) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-tert-butylphenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-tert-butylphenothiazine-10-carboxamide
PubChem CID704261
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-tert-butylphenothiazine-10-carboxamide
SMILESCC(C)(C)NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-17(2,3)18-16(20)19-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)19/h4-11H,1-3H3,(H,18,20)
InChIKeyVEHORJYPKNVWKA-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylphenothiazine-10-carboxamide?
The IUPAC name of N-tert-butylphenothiazine-10-carboxamide (CID 704261) is N-tert-butylphenothiazine-10-carboxamide.
What is the SMILES notation for N-tert-butylphenothiazine-10-carboxamide?
The canonical SMILES for N-tert-butylphenothiazine-10-carboxamide is CC(C)(C)NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-tert-butylphenothiazine-10-carboxamide?
The InChIKey is VEHORJYPKNVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-17(2,3)18-16(20)19-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)19/h4-11H,1-3H3,(H,18,20).
What are the key properties of N-tert-butylphenothiazine-10-carboxamide?
N-tert-butylphenothiazine-10-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylphenothiazine-10-carboxamide is sourced from PubChem (CID 704261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).