9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide

C28H41N3OS — CID 142022919

IUPAC9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide
SMILESCCCCCCCCSNCCCCCNC(=O)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C28H41N3OS/c1-3-5-6-7-8-14-21-33-30-20-13-9-12-19-29-28(32)23-17-18-27-25(22-23)24-15-10-11-16-26(24)31(27)4-2/h10-11,15-18,22,30H,3-9,12-14,19-21H2,1-2H3,(H,29,32)
InChIKeyGOSIHBDVSZJRIU-UHFFFAOYSA-N
MW467.72 g/mol
LogP7.31
Rot. Bonds16

About 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide

9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide (PubChem CID 142022919) has the molecular formula C28H41N3OS and a molecular weight of 467.72 g/mol. Its IUPAC name is 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide.

Molecular Properties

Compound Name9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide
PubChem CID142022919
Molecular FormulaC28H41N3OS
Molecular Weight467.72 g/mol
Exact Mass467.30
IUPAC Name9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide
SMILESCCCCCCCCSNCCCCCNC(=O)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C28H41N3OS/c1-3-5-6-7-8-14-21-33-30-20-13-9-12-19-29-28(32)23-17-18-27-25(22-23)24-15-10-11-16-26(24)31(27)4-2/h10-11,15-18,22,30H,3-9,12-14,19-21H2,1-2H3,(H,29,32)
InChIKeyGOSIHBDVSZJRIU-UHFFFAOYSA-N
XLogP7.31
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.72
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane
CID 142022873
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
9-ethylcarbazole-3-carboxylic acid
CID 4912869
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
CID 4286433
9-propan-2-yl-N-propylcarbazole-3-carboxamide
CID 69163395
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-octadecylnaphthalene-2-carboxamide
CID 20549010
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
9-ethylcarbazole-3-carboxylate
CID 7148416
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-hexyl-3,4-dimethylbenzamide
CID 4523484
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide?
The IUPAC name of 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide (CID 142022919) is 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide.
What is the SMILES notation for 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide?
The canonical SMILES for 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide is CCCCCCCCSNCCCCCNC(=O)c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide?
The InChIKey is GOSIHBDVSZJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3OS/c1-3-5-6-7-8-14-21-33-30-20-13-9-12-19-29-28(32)23-17-18-27-25(22-23)24-15-10-11-16-26(24)31(27)4-2/h10-11,15-18,22,30H,3-9,12-14,19-21H2,1-2H3,(H,29,32).
What are the key properties of 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide?
9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide has a molecular weight of 467.72 g/mol, XLogP of 7.31, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide is sourced from PubChem (CID 142022919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).