N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide

C22H21N3OS — CID 55667339

IUPACN-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSCc3cccnc3)ccc21
InChIInChI=1S/C22H21N3OS/c1-2-25-20-8-4-3-7-18(20)19-12-17(9-10-21(19)25)24-22(26)15-27-14-16-6-5-11-23-13-16/h3-13H,2,14-15H2,1H3,(H,24,26)
InChIKeyIUSXNCHIRZUOKL-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.08
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 55667339) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID55667339
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSCc3cccnc3)ccc21
InChIInChI=1S/C22H21N3OS/c1-2-25-20-8-4-3-7-18(20)19-12-17(9-10-21(19)25)24-22(26)15-27-14-16-6-5-11-23-13-16/h3-13H,2,14-15H2,1H3,(H,24,26)
InChIKeyIUSXNCHIRZUOKL-UHFFFAOYSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 4274519
N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981281
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 4256931
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 55667339) is N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSCc3cccnc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is IUSXNCHIRZUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-2-25-20-8-4-3-7-18(20)19-12-17(9-10-21(19)25)24-22(26)15-27-14-16-6-5-11-23-13-16/h3-13H,2,14-15H2,1H3,(H,24,26).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 375.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55667339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).