N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide

C30H26N2O3S2 — CID 21168004

IUPACN-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide
SMILESCCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H26N2O3S2/c1-2-26(30(34)32-24-12-6-8-14-27(24)37-28-15-9-7-13-25(28)32)36-23-18-16-21(17-19-23)31-29(33)20-35-22-10-4-3-5-11-22/h3-19,26H,2,20H2,1H3,(H,31,33)
InChIKeyAJBDBPHAFWZQMJ-UHFFFAOYSA-N
MW526.68 g/mol
LogP7.40
Rot. Bonds8

About N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide

N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 21168004) has the molecular formula C30H26N2O3S2 and a molecular weight of 526.68 g/mol. Its IUPAC name is N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide
PubChem CID21168004
Molecular FormulaC30H26N2O3S2
Molecular Weight526.68 g/mol
Exact Mass526.14
IUPAC NameN-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide
SMILESCCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H26N2O3S2/c1-2-26(30(34)32-24-12-6-8-14-27(24)37-28-15-9-7-13-25(28)32)36-23-18-16-21(17-19-23)31-29(33)20-35-22-10-4-3-5-11-22/h3-19,26H,2,20H2,1H3,(H,31,33)
InChIKeyAJBDBPHAFWZQMJ-UHFFFAOYSA-N
XLogP7.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-3-oxo-3-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylanilino]-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide
CID 22784428
4-oxo-4-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylanilino]butanoic acid
CID 22784623
N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide
CID 23095726
N-[(Z)-1-(2,5-dimethoxyphenyl)-3-oxo-3-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22783968
N-[(Z)-1-(2-fluorophenyl)-3-oxo-3-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22784128
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22784208
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylurea
CID 19712284
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
ethyl 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate
CID 18905713
N-[3-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
CID 19318629
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylthiourea
CID 19712999
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide (CID 21168004) is N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide is CCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is AJBDBPHAFWZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3S2/c1-2-26(30(34)32-24-12-6-8-14-27(24)37-28-15-9-7-13-25(28)32)36-23-18-16-21(17-19-23)31-29(33)20-35-22-10-4-3-5-11-22/h3-19,26H,2,20H2,1H3,(H,31,33).
What are the key properties of N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide?
N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 526.68 g/mol, XLogP of 7.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 21168004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).