N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide

C18H19ClN2OS — CID 113084290

IUPACN-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCC(C)(CNC(=O)Cc1cccs1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H19ClN2OS/c1-18(2,11-21-17(22)9-13-4-3-7-23-13)15-10-20-16-6-5-12(19)8-14(15)16/h3-8,10,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyFHOHMKMFIBZZCV-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.52
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide

N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide (PubChem CID 113084290) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
PubChem CID113084290
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCC(C)(CNC(=O)Cc1cccs1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H19ClN2OS/c1-18(2,11-21-17(22)9-13-4-3-7-23-13)15-10-20-16-6-5-12(19)8-14(15)16/h3-8,10,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyFHOHMKMFIBZZCV-UHFFFAOYSA-N
XLogP4.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
CID 113084309
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide (CID 113084290) is N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide is CC(C)(CNC(=O)Cc1cccs1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The InChIKey is FHOHMKMFIBZZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-18(2,11-21-17(22)9-13-4-3-7-23-13)15-10-20-16-6-5-12(19)8-14(15)16/h3-8,10,20H,9,11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide has a molecular weight of 346.88 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113084290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).