2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide

C26H29ClN2O3S — CID 118222100

IUPAC2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)Cc1cc(C(=O)c2ccc(OC)cc2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-4-29(5-2)15-14-28-24(30)17-20-16-23(25(31)18-8-12-22(32-3)13-9-18)33-26(20)19-6-10-21(27)11-7-19/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,28,30)
InChIKeyJJVAVPDWAURQNM-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.31
Rot. Bonds11

About 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide

2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 118222100) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID118222100
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC Name2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)Cc1cc(C(=O)c2ccc(OC)cc2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-4-29(5-2)15-14-28-24(30)17-20-16-23(25(31)18-8-12-22(32-3)13-9-18)33-26(20)19-6-10-21(27)11-7-19/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,28,30)
InChIKeyJJVAVPDWAURQNM-UHFFFAOYSA-N
XLogP5.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 73051637
5-chloro-N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-2H-isoindole-1-carboxamide
CID 154334574
[4-[2-(diethylamino)ethoxy]phenyl]-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 15411886
ethyl 2-[5-(4-cyanobenzoyl)-2-(4-methoxyphenyl)thiophen-3-yl]acetate
CID 118222156
2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-3,3-dimethylbutanoic acid
CID 122505261
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
ethyl 2-[5-(3-chlorobenzoyl)-2-(4-chlorophenyl)thiophen-3-yl]acetate
CID 73052443
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
CID 139646624

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide (CID 118222100) is 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)Cc1cc(C(=O)c2ccc(OC)cc2)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is JJVAVPDWAURQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-4-29(5-2)15-14-28-24(30)17-20-16-23(25(31)18-8-12-22(32-3)13-9-18)33-26(20)19-6-10-21(27)11-7-19/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,28,30).
What are the key properties of 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 485.05 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 118222100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).