N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide

C18H17ClN2OS — CID 97496306

IUPACN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C18H17ClN2OS/c19-14-7-1-5-12-13-6-2-8-15(18(13)21-17(12)14)20-16(22)10-11-4-3-9-23-11/h1,3-5,7,9,15,21H,2,6,8,10H2,(H,20,22)/t15-/m0/s1
InChIKeyYYSKNZBRJAGBJF-HNNXBMFYSA-N
MW344.87 g/mol
LogP4.62
Rot. Bonds3

About N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide

N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide (PubChem CID 97496306) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
PubChem CID97496306
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C18H17ClN2OS/c19-14-7-1-5-12-13-6-2-8-15(18(13)21-17(12)14)20-16(22)10-11-4-3-9-23-11/h1,3-5,7,9,15,21H,2,6,8,10H2,(H,20,22)/t15-/m0/s1
InChIKeyYYSKNZBRJAGBJF-HNNXBMFYSA-N
XLogP4.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97496454
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71828982
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(6-methyl-4-oxopyran-3-yl)oxyacetamide
CID 126418019
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 90489330
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97425983
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126418717
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide
CID 75489035
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
CID 99755034
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 28744121
(2R)-N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 132992834
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide (CID 97496306) is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YYSKNZBRJAGBJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-14-7-1-5-12-13-6-2-8-15(18(13)21-17(12)14)20-16(22)10-11-4-3-9-23-11/h1,3-5,7,9,15,21H,2,6,8,10H2,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide?
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide has a molecular weight of 344.87 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 97496306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).