2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid

C27H28N2O3S — CID 67695952

IUPAC2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid
SMILESCCCc1cc(CC(=O)O)cc2c1c1ccccc1n2SCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C27H28N2O3S/c1-3-6-21-15-20(17-26(31)32)16-25-27(21)23-7-4-5-8-24(23)29(25)33-14-13-19-9-11-22(12-10-19)28-18(2)30/h4-5,7-12,15-16H,3,6,13-14,17H2,1-2H3,(H,28,30)(H,31,32)
InChIKeyCNNGCPSQSRGZDV-UHFFFAOYSA-N
MW460.60 g/mol
LogP6.07
Rot. Bonds9

About 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid

2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid (PubChem CID 67695952) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid
PubChem CID67695952
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid
SMILESCCCc1cc(CC(=O)O)cc2c1c1ccccc1n2SCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C27H28N2O3S/c1-3-6-21-15-20(17-26(31)32)16-25-27(21)23-7-4-5-8-24(23)29(25)33-14-13-19-9-11-22(12-10-19)28-18(2)30/h4-5,7-12,15-16H,3,6,13-14,17H2,1-2H3,(H,28,30)(H,31,32)
InChIKeyCNNGCPSQSRGZDV-UHFFFAOYSA-N
XLogP6.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-(2-phenylethylsulfanyl)-4-(trifluoromethyl)carbazol-2-yl]acetic acid
CID 67695700
propan-2-yl 2-[9-[(4-acetamidophenyl)methyl]-1-methylsulfanyl-4-propylcarbazol-2-yl]acetate
CID 54568292
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
[9-[(3-acetamidophenyl)methyl]-1-methylsulfanyl-4-propylcarbazol-2-yl] acetate
CID 67571950
2-[4-ethylsulfanyl-9-[(3-fluorophenyl)methyl]carbazol-2-yl]acetic acid
CID 67695549
(4-acetamidophenyl)-hydroperoxyarsinic acid;2-phenylacetic acid
CID 174468016
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
2-(2-propylphenyl)acetic acid
CID 46897017
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-[4-[(4-butylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649094
5-(4-acetamidophenyl)pentanoic acid
CID 82255364

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid?
The IUPAC name of 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid (CID 67695952) is 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid.
What is the SMILES notation for 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid?
The canonical SMILES for 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid is CCCc1cc(CC(=O)O)cc2c1c1ccccc1n2SCCc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid?
The InChIKey is CNNGCPSQSRGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-3-6-21-15-20(17-26(31)32)16-25-27(21)23-7-4-5-8-24(23)29(25)33-14-13-19-9-11-22(12-10-19)28-18(2)30/h4-5,7-12,15-16H,3,6,13-14,17H2,1-2H3,(H,28,30)(H,31,32).
What are the key properties of 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid?
2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid has a molecular weight of 460.60 g/mol, XLogP of 6.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(4-acetamidophenyl)ethylsulfanyl]-4-propylcarbazol-2-yl]acetic acid is sourced from PubChem (CID 67695952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).