5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

C19H20N4O3S — CID 25367569

IUPAC5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1ccc(NC(C)=O)s1)c1nccn1C
InChIInChI=1S/C19H20N4O3S/c1-12(24)21-16-9-8-15(27-16)19(25)22-17(18-20-10-11-23(18)2)13-6-4-5-7-14(13)26-3/h4-11,17H,1-3H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyFZJJMPITKDAZGA-QGZVFWFLSA-N
MW384.46 g/mol
LogP2.97
Rot. Bonds6

About 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 25367569) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID25367569
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1ccc(NC(C)=O)s1)c1nccn1C
InChIInChI=1S/C19H20N4O3S/c1-12(24)21-16-9-8-15(27-16)19(25)22-17(18-20-10-11-23(18)2)13-6-4-5-7-14(13)26-3/h4-11,17H,1-3H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyFZJJMPITKDAZGA-QGZVFWFLSA-N
XLogP2.97
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 55454281
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 25367569) is 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is COc1ccccc1[C@@H](NC(=O)c1ccc(NC(C)=O)s1)c1nccn1C.
What is the InChIKey of 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FZJJMPITKDAZGA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12(24)21-16-9-8-15(27-16)19(25)22-17(18-20-10-11-23(18)2)13-6-4-5-7-14(13)26-3/h4-11,17H,1-3H3,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25367569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).