2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide

C27H37N3O2S — CID 4211528

IUPAC2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)C(CSc1ccc2c(c1)c1ccccc1n2CC)NC(C)=O
InChIInChI=1S/C27H37N3O2S/c1-5-8-11-20(6-2)17-28-27(32)24(29-19(4)31)18-33-21-14-15-26-23(16-21)22-12-9-10-13-25(22)30(26)7-3/h9-10,12-16,20,24H,5-8,11,17-18H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyHAPLERDXEVRXNX-UHFFFAOYSA-N
MW467.68 g/mol
LogP5.74
Rot. Bonds12

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

2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide (PubChem CID 4211528) has the molecular formula C27H37N3O2S and a molecular weight of 467.68 g/mol. Its IUPAC name is 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide
PubChem CID4211528
Molecular FormulaC27H37N3O2S
Molecular Weight467.68 g/mol
Exact Mass467.26
IUPAC Name2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)C(CSc1ccc2c(c1)c1ccccc1n2CC)NC(C)=O
InChIInChI=1S/C27H37N3O2S/c1-5-8-11-20(6-2)17-28-27(32)24(29-19(4)31)18-33-21-14-15-26-23(16-21)22-12-9-10-13-25(22)30(26)7-3/h9-10,12-16,20,24H,5-8,11,17-18H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyHAPLERDXEVRXNX-UHFFFAOYSA-N
XLogP5.74
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.68
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
CID 4286433
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
3-butylsulfanyl-9-ethylcarbazole
CID 71231849
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxypropyl)propanamide
CID 3657102
N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 74711303
2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
CID 4562126
(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
CID 156690182
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide?
The IUPAC name of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide (CID 4211528) is 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide?
The canonical SMILES for 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide is CCCCC(CC)CNC(=O)C(CSc1ccc2c(c1)c1ccccc1n2CC)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide?
The InChIKey is HAPLERDXEVRXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2S/c1-5-8-11-20(6-2)17-28-27(32)24(29-19(4)31)18-33-21-14-15-26-23(16-21)22-12-9-10-13-25(22)30(26)7-3/h9-10,12-16,20,24H,5-8,11,17-18H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of 2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide?
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide has a molecular weight of 467.68 g/mol, XLogP of 5.74, 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-(2-ethylhexyl)propanamide is sourced from PubChem (CID 4211528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).