N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide

C18H17ClN2OS — CID 113096971

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C18H17ClN2OS/c19-11-3-5-16-14(8-11)15-9-12(4-6-17(15)21-16)20-18(22)10-13-2-1-7-23-13/h1-3,5,7-8,12,21H,4,6,9-10H2,(H,20,22)
InChIKeyMYROZTWHRVGAAP-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.10
Rot. Bonds3

About N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 113096971) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
PubChem CID113096971
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C18H17ClN2OS/c19-11-3-5-16-14(8-11)15-9-12(4-6-17(15)21-16)20-18(22)10-13-2-1-7-23-13/h1-3,5,7-8,12,21H,4,6,9-10H2,(H,20,22)
InChIKeyMYROZTWHRVGAAP-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]acetamide
CID 92757868
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097229
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
CID 46098102
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
CID 46098168
N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
CID 92762404

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide (CID 113096971) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is MYROZTWHRVGAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-11-3-5-16-14(8-11)15-9-12(4-6-17(15)21-16)20-18(22)10-13-2-1-7-23-13/h1-3,5,7-8,12,21H,4,6,9-10H2,(H,20,22).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 344.87 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113096971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).