N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide

C30H25ClN2O2S — CID 19318717

IUPACN-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
SMILESCCC(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H25ClN2O2S/c1-2-28(30(35)33-26-12-5-3-10-24(26)25-11-4-6-13-27(25)33)36-23-9-7-8-22(19-23)32-29(34)18-20-14-16-21(31)17-15-20/h3-17,19,28H,2,18H2,1H3,(H,32,34)
InChIKeyPUVSKWIKHSHYJH-UHFFFAOYSA-N
MW513.06 g/mol
LogP7.84
Rot. Bonds7

About N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide

N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 19318717) has the molecular formula C30H25ClN2O2S and a molecular weight of 513.06 g/mol. Its IUPAC name is N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
PubChem CID19318717
Molecular FormulaC30H25ClN2O2S
Molecular Weight513.06 g/mol
Exact Mass512.13
IUPAC NameN-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
SMILESCCC(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H25ClN2O2S/c1-2-28(30(35)33-26-12-5-3-10-24(26)25-11-4-6-13-27(25)33)36-23-9-7-8-22(19-23)32-29(34)18-20-14-16-21(31)17-15-20/h3-17,19,28H,2,18H2,1H3,(H,32,34)
InChIKeyPUVSKWIKHSHYJH-UHFFFAOYSA-N
XLogP7.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.06
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide
CID 23097713
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N,N-diphenylbutanamide
CID 19318663
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18902515
N-(3-chloro-4-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905979
N-(1,3-benzodioxol-5-yl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylbutanamide
CID 18902585
N-(4-bromo-2-fluorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylbutanamide
CID 18902519
N-naphthalen-1-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906005
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 18902551
N-(2-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906014
2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902477
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide (CID 19318717) is N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide is CCC(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is PUVSKWIKHSHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O2S/c1-2-28(30(35)33-26-12-5-3-10-24(26)25-11-4-6-13-27(25)33)36-23-9-7-8-22(19-23)32-29(34)18-20-14-16-21(31)17-15-20/h3-17,19,28H,2,18H2,1H3,(H,32,34).
What are the key properties of N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 513.06 g/mol, XLogP of 7.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 19318717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).