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

C24H23N3O2S — CID 22776873

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3ccc(NC(C)=O)cc3)ccc21
InChIInChI=1S/C24H23N3O2S/c1-3-27-22-7-5-4-6-20(22)21-14-18(10-13-23(21)27)26-24(29)15-30-19-11-8-17(9-12-19)25-16(2)28/h4-14H,3,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHRWCBXBLYFUIKO-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.50
Rot. Bonds6

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

2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 22776873) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID22776873
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3ccc(NC(C)=O)cc3)ccc21
InChIInChI=1S/C24H23N3O2S/c1-3-27-22-7-5-4-6-20(22)21-14-18(10-13-23(21)27)26-24(29)15-30-19-11-8-17(9-12-19)25-16(2)28/h4-14H,3,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHRWCBXBLYFUIKO-UHFFFAOYSA-N
XLogP5.50
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22785050
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 4256931
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298769
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
CID 18912315
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23098781
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide (CID 22776873) is 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(NC(C)=O)cc3)ccc21.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is HRWCBXBLYFUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-27-22-7-5-4-6-20(22)21-14-18(10-13-23(21)27)26-24(29)15-30-19-11-8-17(9-12-19)25-16(2)28/h4-14H,3,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 22776873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).