N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide

C16H16N2OS — CID 54424608

IUPACN-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CS)ccc21
InChIInChI=1S/C16H16N2OS/c1-2-18-14-6-4-3-5-12(14)13-9-11(7-8-15(13)18)17-16(19)10-20/h3-9,20H,2,10H2,1H3,(H,17,19)
InChIKeyRRMYIHKSSIXJEV-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.68
Rot. Bonds3

About N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide

N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide (PubChem CID 54424608) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
PubChem CID54424608
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CS)ccc21
InChIInChI=1S/C16H16N2OS/c1-2-18-14-6-4-3-5-12(14)13-9-11(7-8-15(13)18)17-16(19)10-20/h3-9,20H,2,10H2,1H3,(H,17,19)
InChIKeyRRMYIHKSSIXJEV-UHFFFAOYSA-N
XLogP3.68
TPSA34.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
2-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide (CID 54424608) is N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide is CCn1c2ccccc2c2cc(NC(=O)CS)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide?
The InChIKey is RRMYIHKSSIXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-18-14-6-4-3-5-12(14)13-9-11(7-8-15(13)18)17-16(19)10-20/h3-9,20H,2,10H2,1H3,(H,17,19).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide?
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide has a molecular weight of 284.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 54424608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).