2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide

C16H16ClNO2S — CID 30522306

IUPAC2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CC1
InChIInChI=1S/C16H16ClNO2S/c17-12-3-5-13(6-4-12)20-10-15(19)18-11-16(7-8-16)14-2-1-9-21-14/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyGNFHQPGVOBJJND-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.63
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide (PubChem CID 30522306) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
PubChem CID30522306
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CC1
InChIInChI=1S/C16H16ClNO2S/c17-12-3-5-13(6-4-12)20-10-15(19)18-11-16(7-8-16)14-2-1-9-21-14/h1-6,9H,7-8,10-11H2,(H,18,19)
InChIKeyGNFHQPGVOBJJND-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522244
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
CID 114758307
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146296913
2-(2,4-dichlorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 42145569
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide (CID 30522306) is 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
The InChIKey is GNFHQPGVOBJJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-12-3-5-13(6-4-12)20-10-15(19)18-11-16(7-8-16)14-2-1-9-21-14/h1-6,9H,7-8,10-11H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide has a molecular weight of 321.83 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 30522306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).