N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide

C30H26N2O2S — CID 23097713

IUPACN-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide
SMILESCCC(Sc1ccc(NC(=O)Cc2ccccc2)cc1)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H26N2O2S/c1-2-28(30(34)32-26-14-8-6-12-24(26)25-13-7-9-15-27(25)32)35-23-18-16-22(17-19-23)31-29(33)20-21-10-4-3-5-11-21/h3-19,28H,2,20H2,1H3,(H,31,33)
InChIKeyOMVLOXQNKOHZPU-UHFFFAOYSA-N
MW478.62 g/mol
LogP7.19
Rot. Bonds7

About N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide

N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide (PubChem CID 23097713) has the molecular formula C30H26N2O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide
PubChem CID23097713
Molecular FormulaC30H26N2O2S
Molecular Weight478.62 g/mol
Exact Mass478.17
IUPAC NameN-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide
SMILESCCC(Sc1ccc(NC(=O)Cc2ccccc2)cc1)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H26N2O2S/c1-2-28(30(34)32-26-14-8-6-12-24(26)25-13-7-9-15-27(25)32)35-23-18-16-22(17-19-23)31-29(33)20-21-10-4-3-5-11-21/h3-19,28H,2,20H2,1H3,(H,31,33)
InChIKeyOMVLOXQNKOHZPU-UHFFFAOYSA-N
XLogP7.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 19318717
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
N-(4-acetylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906002
N-naphthalen-1-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906005
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(4-phenoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906022
N-naphthalen-2-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906004
1-carbazol-9-yl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one
CID 23915552
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide
CID 21168004
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide (CID 23097713) is N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide is CCC(Sc1ccc(NC(=O)Cc2ccccc2)cc1)C(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide?
The InChIKey is OMVLOXQNKOHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2S/c1-2-28(30(34)32-26-14-8-6-12-24(26)25-13-7-9-15-27(25)32)35-23-18-16-22(17-19-23)31-29(33)20-21-10-4-3-5-11-21/h3-19,28H,2,20H2,1H3,(H,31,33).
What are the key properties of N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide?
N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide has a molecular weight of 478.62 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 23097713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).