2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide

C26H35N3O2S — CID 4286433

IUPAC2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
SMILESCCCCCCCNC(=O)C(CSc1ccc2c(c1)c1ccccc1n2CC)NC(C)=O
InChIInChI=1S/C26H35N3O2S/c1-4-6-7-8-11-16-27-26(31)23(28-19(3)30)18-32-20-14-15-25-22(17-20)21-12-9-10-13-24(21)29(25)5-2/h9-10,12-15,17,23H,4-8,11,16,18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyRXUMNIRNWRVECK-UHFFFAOYSA-N
MW453.65 g/mol
LogP5.50
Rot. Bonds12

About 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide

2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide (PubChem CID 4286433) has the molecular formula C26H35N3O2S and a molecular weight of 453.65 g/mol. Its IUPAC name is 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
PubChem CID4286433
Molecular FormulaC26H35N3O2S
Molecular Weight453.65 g/mol
Exact Mass453.24
IUPAC Name2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
SMILESCCCCCCCNC(=O)C(CSc1ccc2c(c1)c1ccccc1n2CC)NC(C)=O
InChIInChI=1S/C26H35N3O2S/c1-4-6-7-8-11-16-27-26(31)23(28-19(3)30)18-32-20-14-15-25-22(17-20)21-12-9-10-13-24(21)29(25)5-2/h9-10,12-15,17,23H,4-8,11,16,18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyRXUMNIRNWRVECK-UHFFFAOYSA-N
XLogP5.50
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.65
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide 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-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide
CID 4211528
N-[1-(4-benzylpiperidin-1-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxopropan-2-yl]acetamide
CID 4017017
2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 3441414
2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
3-butylsulfanyl-9-ethylcarbazole
CID 71231849
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide
CID 142022919
2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
CID 4562126
2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 3306259
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 3972925

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide?
The IUPAC name of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide (CID 4286433) is 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide.
What is the SMILES notation for 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide?
The canonical SMILES for 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide is CCCCCCCNC(=O)C(CSc1ccc2c(c1)c1ccccc1n2CC)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide?
The InChIKey is RXUMNIRNWRVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2S/c1-4-6-7-8-11-16-27-26(31)23(28-19(3)30)18-32-20-14-15-25-22(17-20)21-12-9-10-13-24(21)29(25)5-2/h9-10,12-15,17,23H,4-8,11,16,18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide?
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide has a molecular weight of 453.65 g/mol, XLogP of 5.50, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide is sourced from PubChem (CID 4286433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).