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

C30H27N5O4S — CID 23744068

IUPAC2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccco4)n3-c3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C30H27N5O4S/c1-4-34-23-9-6-5-8-21(23)22-16-19(11-13-24(22)34)31-28(36)18-40-30-33-32-29(27-10-7-15-39-27)35(30)25-17-20(37-2)12-14-26(25)38-3/h5-17H,4,18H2,1-3H3,(H,31,36)
InChIKeyIAIFYGODGYQOFU-UHFFFAOYSA-N
MW553.64 g/mol
LogP6.40
Rot. Bonds9

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

2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 23744068) has the molecular formula C30H27N5O4S and a molecular weight of 553.64 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID23744068
Molecular FormulaC30H27N5O4S
Molecular Weight553.64 g/mol
Exact Mass553.18
IUPAC Name2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccco4)n3-c3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C30H27N5O4S/c1-4-34-23-9-6-5-8-21(23)22-16-19(11-13-24(22)34)31-28(36)18-40-30-33-32-29(27-10-7-15-39-27)35(30)25-17-20(37-2)12-14-26(25)38-3/h5-17H,4,18H2,1-3H3,(H,31,36)
InChIKeyIAIFYGODGYQOFU-UHFFFAOYSA-N
XLogP6.40
TPSA96.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.64
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 23887351
N-(2,5-dimethoxyphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1072545
2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2047207
N-(9-ethylcarbazol-3-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3819130
2-[[5-(furan-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 50961940
N-(3-chloro-4-methoxyphenyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41127533
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 5004801
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16516490
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624173
N-(4-acetamidophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1071854

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide (CID 23744068) is 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccco4)n3-c3cc(OC)ccc3OC)ccc21.
What is the InChIKey of 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is IAIFYGODGYQOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O4S/c1-4-34-23-9-6-5-8-21(23)22-16-19(11-13-24(22)34)31-28(36)18-40-30-33-32-29(27-10-7-15-39-27)35(30)25-17-20(37-2)12-14-26(25)38-3/h5-17H,4,18H2,1-3H3,(H,31,36).
What are the key properties of 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 553.64 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 23744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).