N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide

C16H18ClNOS — CID 47317277

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCC(C)(CNC(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-16(2,12-5-7-13(17)8-6-12)11-18-15(19)10-14-4-3-9-20-14/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyUFDSXLKXVZOICJ-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.04
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide (PubChem CID 47317277) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
PubChem CID47317277
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCC(C)(CNC(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-16(2,12-5-7-13(17)8-6-12)11-18-15(19)10-14-4-3-9-20-14/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyUFDSXLKXVZOICJ-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084290
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 71781806
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
N-(5-bromo-2,2-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 106145359
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide (CID 47317277) is N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide is CC(C)(CNC(=O)Cc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The InChIKey is UFDSXLKXVZOICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-16(2,12-5-7-13(17)8-6-12)11-18-15(19)10-14-4-3-9-20-14/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide has a molecular weight of 307.85 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 47317277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).