N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide

C26H26N2O2S2 — CID 23095726

IUPACN-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(C)C(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C26H26N2O2S2/c1-3-4-13-25(29)27-19-14-16-20(17-15-19)31-18(2)26(30)28-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)28/h5-12,14-18H,3-4,13H2,1-2H3,(H,27,29)
InChIKeySFIXHPGIIZNUHS-UHFFFAOYSA-N
MW462.64 g/mol
LogP7.13
Rot. Bonds7

About N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide

N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide (PubChem CID 23095726) has the molecular formula C26H26N2O2S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide
PubChem CID23095726
Molecular FormulaC26H26N2O2S2
Molecular Weight462.64 g/mol
Exact Mass462.14
IUPAC NameN-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(C)C(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C26H26N2O2S2/c1-3-4-13-25(29)27-19-14-16-20(17-15-19)31-18(2)26(30)28-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)28/h5-12,14-18H,3-4,13H2,1-2H3,(H,27,29)
InChIKeySFIXHPGIIZNUHS-UHFFFAOYSA-N
XLogP7.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylanilino]butanoic acid
CID 22784623
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylthiourea
CID 19712999
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylurea
CID 19712284
2,6-dimethoxy-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21169133
3-chloro-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21167207
4-[[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22784579
1-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylthiourea
CID 19318288
3,4-dimethoxy-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21169132
N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide
CID 21168004
N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19631573
N-[(Z)-1-(2-fluorophenyl)-3-oxo-3-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22784127
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide?
The IUPAC name of N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide (CID 23095726) is N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide?
The canonical SMILES for N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide is CCCCC(=O)Nc1ccc(SC(C)C(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide?
The InChIKey is SFIXHPGIIZNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S2/c1-3-4-13-25(29)27-19-14-16-20(17-15-19)31-18(2)26(30)28-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)28/h5-12,14-18H,3-4,13H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide?
N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide has a molecular weight of 462.64 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide is sourced from PubChem (CID 23095726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).