N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide

C16H16ClNO3S — CID 91817354

IUPACN-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C16H16ClNO3S/c1-11(19)15-7-6-14(22-15)8-9-18-16(20)10-21-13-4-2-12(17)3-5-13/h2-7H,8-10H2,1H3,(H,18,20)
InChIKeyXRSMACRXMKIRNO-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 91817354) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID91817354
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C16H16ClNO3S/c1-11(19)15-7-6-14(22-15)8-9-18-16(20)10-21-13-4-2-12(17)3-5-13/h2-7H,8-10H2,1H3,(H,18,20)
InChIKeyXRSMACRXMKIRNO-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27313704
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 32775706
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 91817354) is N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide is CC(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is XRSMACRXMKIRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-11(19)15-7-6-14(22-15)8-9-18-16(20)10-21-13-4-2-12(17)3-5-13/h2-7H,8-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 91817354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).