N-butylphenothiazine-10-carboxamide

C17H18N2OS — CID 12851056

IUPACN-butylphenothiazine-10-carboxamide
SMILESCCCCNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-2-3-12-18-17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-11H,2-3,12H2,1H3,(H,18,20)
InChIKeyFMCOEOVNUJVWGI-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.80
Rot. Bonds3

About N-butylphenothiazine-10-carboxamide

N-butylphenothiazine-10-carboxamide (PubChem CID 12851056) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-butylphenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-butylphenothiazine-10-carboxamide
PubChem CID12851056
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-butylphenothiazine-10-carboxamide
SMILESCCCCNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-2-3-12-18-17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-11H,2-3,12H2,1H3,(H,18,20)
InChIKeyFMCOEOVNUJVWGI-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butylphenothiazine-10-carboxamide?
The IUPAC name of N-butylphenothiazine-10-carboxamide (CID 12851056) is N-butylphenothiazine-10-carboxamide.
What is the SMILES notation for N-butylphenothiazine-10-carboxamide?
The canonical SMILES for N-butylphenothiazine-10-carboxamide is CCCCNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-butylphenothiazine-10-carboxamide?
The InChIKey is FMCOEOVNUJVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-3-12-18-17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-11H,2-3,12H2,1H3,(H,18,20).
What are the key properties of N-butylphenothiazine-10-carboxamide?
N-butylphenothiazine-10-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylphenothiazine-10-carboxamide is sourced from PubChem (CID 12851056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).