2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide

C24H24N2O3S — CID 28580453

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C24H24N2O3S/c1-4-26-20-8-6-5-7-18(20)19-13-16(9-11-21(19)26)25-24(27)15-30-17-10-12-22(28-2)23(14-17)29-3/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKeyFJKMJTGXEZFDIX-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.56
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 28580453) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID28580453
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3ccc(OC)c(OC)c3)ccc21
InChIInChI=1S/C24H24N2O3S/c1-4-26-20-8-6-5-7-18(20)19-13-16(9-11-21(19)26)25-24(27)15-30-17-10-12-22(28-2)23(14-17)29-3/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKeyFJKMJTGXEZFDIX-UHFFFAOYSA-N
XLogP5.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
(E)-4-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22785050
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330748
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 4256931
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298769
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
2-[[4-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 23744068
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (CID 28580453) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(OC)c(OC)c3)ccc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is FJKMJTGXEZFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-4-26-20-8-6-5-7-18(20)19-13-16(9-11-21(19)26)25-24(27)15-30-17-10-12-22(28-2)23(14-17)29-3/h5-14H,4,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 28580453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).