N,N-di(propan-2-yl)phenothiazine-10-carboxamide

C19H22N2OS — CID 12851057

IUPACN,N-di(propan-2-yl)phenothiazine-10-carboxamide
SMILESCC(C)N(C(=O)N1c2ccccc2Sc2ccccc21)C(C)C
InChIInChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3
InChIKeyRSDPPDLPSMZJPP-UHFFFAOYSA-N
MW326.46 g/mol
LogP5.53
Rot. Bonds2

About N,N-di(propan-2-yl)phenothiazine-10-carboxamide

N,N-di(propan-2-yl)phenothiazine-10-carboxamide (PubChem CID 12851057) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N,N-di(propan-2-yl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)phenothiazine-10-carboxamide
PubChem CID12851057
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN,N-di(propan-2-yl)phenothiazine-10-carboxamide
SMILESCC(C)N(C(=O)N1c2ccccc2Sc2ccccc21)C(C)C
InChIInChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3
InChIKeyRSDPPDLPSMZJPP-UHFFFAOYSA-N
XLogP5.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)phenothiazine-10-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)phenothiazine-10-carboxamide (CID 12851057) is N,N-di(propan-2-yl)phenothiazine-10-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)phenothiazine-10-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)phenothiazine-10-carboxamide is CC(C)N(C(=O)N1c2ccccc2Sc2ccccc21)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)phenothiazine-10-carboxamide?
The InChIKey is RSDPPDLPSMZJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)phenothiazine-10-carboxamide?
N,N-di(propan-2-yl)phenothiazine-10-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)phenothiazine-10-carboxamide is sourced from PubChem (CID 12851057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).