N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C24H23N7OS — CID 2218748

IUPACN-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1
InChIInChI=1S/C24H23N7OS/c1-3-30-20-8-6-5-7-17(20)18-13-16(9-10-21(18)30)27-22(32)15-33-24-29-28-23(31(24)4-2)19-14-25-11-12-26-19/h5-14H,3-4,15H2,1-2H3,(H,27,32)
InChIKeyFZQRSOXVSAENKX-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.61
Rot. Bonds7

About N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2218748) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2218748
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1
InChIInChI=1S/C24H23N7OS/c1-3-30-20-8-6-5-7-17(20)18-13-16(9-10-21(18)30)27-22(32)15-33-24-29-28-23(31(24)4-2)19-14-25-11-12-26-19/h5-14H,3-4,15H2,1-2H3,(H,27,32)
InChIKeyFZQRSOXVSAENKX-UHFFFAOYSA-N
XLogP4.61
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2218748) is N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is FZQRSOXVSAENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-3-30-20-8-6-5-7-17(20)18-13-16(9-10-21(18)30)27-22(32)15-33-24-29-28-23(31(24)4-2)19-14-25-11-12-26-19/h5-14H,3-4,15H2,1-2H3,(H,27,32).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 457.56 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2218748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).