2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide

C26H27N3O2S — CID 18912315

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H27N3O2S/c1-4-25(32-20-10-8-9-18(15-20)27-17(3)30)26(31)28-19-13-14-24-22(16-19)21-11-6-7-12-23(21)29(24)5-2/h6-16,25H,4-5H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyGIMCQTJGFPEOEZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP6.28
Rot. Bonds7

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

2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide (PubChem CID 18912315) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
PubChem CID18912315
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H27N3O2S/c1-4-25(32-20-10-8-9-18(15-20)27-17(3)30)26(31)28-19-13-14-24-22(16-19)21-11-6-7-12-23(21)29(24)5-2/h6-16,25H,4-5H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyGIMCQTJGFPEOEZ-UHFFFAOYSA-N
XLogP6.28
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 19299003
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18912963
8-[[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18898959
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
CID 18901090
N-[(E)-3-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19321079
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19299111
2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
CID 18901098
N-[(E)-3-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylanilino]-1-(4-hydroxy-2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19321583
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 19298949
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-(4-acetamidophenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide
CID 18901998
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23743217

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide (CID 18912315) is 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide is CCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide?
The InChIKey is GIMCQTJGFPEOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-4-25(32-20-10-8-9-18(15-20)27-17(3)30)26(31)28-19-13-14-24-22(16-19)21-11-6-7-12-23(21)29(24)5-2/h6-16,25H,4-5H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide?
2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide has a molecular weight of 445.59 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide is sourced from PubChem (CID 18912315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).