2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide

C23H23FN4O2S — CID 53200518

IUPAC2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide
SMILESCOc1ccc(-n2c(N(C)C)nc3cc(C(=O)NC(C)c4ccc(F)cc4)sc32)cc1
InChIInChI=1S/C23H23FN4O2S/c1-14(15-5-7-16(24)8-6-15)25-21(29)20-13-19-22(31-20)28(23(26-19)27(2)3)17-9-11-18(30-4)12-10-17/h5-14H,1-4H3,(H,25,29)
InChIKeyVEQOJTUPQWPGTH-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.79
Rot. Bonds6

About 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide

2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide (PubChem CID 53200518) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide
PubChem CID53200518
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide
SMILESCOc1ccc(-n2c(N(C)C)nc3cc(C(=O)NC(C)c4ccc(F)cc4)sc32)cc1
InChIInChI=1S/C23H23FN4O2S/c1-14(15-5-7-16(24)8-6-15)25-21(29)20-13-19-22(31-20)28(23(26-19)27(2)3)17-9-11-18(30-4)12-10-17/h5-14H,1-4H3,(H,25,29)
InChIKeyVEQOJTUPQWPGTH-UHFFFAOYSA-N
XLogP4.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 95099108
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
methyl 3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 134015748
1-(4-fluorophenyl)-3-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 95053217
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624604
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 98235517
1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854324
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
1-(4-fluorophenyl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55433332
N-[(1S)-1-(4-fluorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795284

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide (CID 53200518) is 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide is COc1ccc(-n2c(N(C)C)nc3cc(C(=O)NC(C)c4ccc(F)cc4)sc32)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is VEQOJTUPQWPGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-14(15-5-7-16(24)8-6-15)25-21(29)20-13-19-22(31-20)28(23(26-19)27(2)3)17-9-11-18(30-4)12-10-17/h5-14H,1-4H3,(H,25,29).
What are the key properties of 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide?
2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)thieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 53200518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).