2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide

C25H24N6O2S — CID 4237469

IUPAC2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H24N6O2S/c1-3-30-20-10-6-5-9-18(20)19-15-17(13-14-21(19)30)26-24(32)16-34-25-27-28-29-31(25)22-11-7-8-12-23(22)33-4-2/h5-15H,3-4,16H2,1-2H3,(H,26,32)
InChIKeyPCAMQOPCFBCLFU-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.92
Rot. Bonds8

About 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 4237469) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID4237469
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H24N6O2S/c1-3-30-20-10-6-5-9-18(20)19-15-17(13-14-21(19)30)26-24(32)16-34-25-27-28-29-31(25)22-11-7-8-12-23(22)33-4-2/h5-15H,3-4,16H2,1-2H3,(H,26,32)
InChIKeyPCAMQOPCFBCLFU-UHFFFAOYSA-N
XLogP4.92
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
N-(4-bromo-3-methylphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614116
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 16537053
N-(9-ethylcarbazol-3-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 44825224
N-(3-cyanophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614143
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2613804
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 36534099
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 5036823
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (CID 4237469) is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is PCAMQOPCFBCLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-3-30-20-10-6-5-9-18(20)19-15-17(13-14-21(19)30)26-24(32)16-34-25-27-28-29-31(25)22-11-7-8-12-23(22)33-4-2/h5-15H,3-4,16H2,1-2H3,(H,26,32).
What are the key properties of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 472.57 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 4237469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).