5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide

C20H23N3O2S — CID 25389100

IUPAC5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)cc1C
InChIInChI=1S/C20H23N3O2S/c1-5-16-13(2)12-17(26-16)20(24)22-18(19-21-10-11-23(19)3)14-6-8-15(25-4)9-7-14/h6-12,18H,5H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyPNOGGGZPENLYCO-SFHVURJKSA-N
MW369.49 g/mol
LogP3.88
Rot. Bonds6

About 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide

5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide (PubChem CID 25389100) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide
PubChem CID25389100
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)cc1C
InChIInChI=1S/C20H23N3O2S/c1-5-16-13(2)12-17(26-16)20(24)22-18(19-21-10-11-23(19)3)14-6-8-15(25-4)9-7-14/h6-12,18H,5H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyPNOGGGZPENLYCO-SFHVURJKSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 86912462
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24625813
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43013985
4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 55454281
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 24535483
2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640698
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25330794

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide (CID 25389100) is 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)cc1C.
What is the InChIKey of 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is PNOGGGZPENLYCO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-16-13(2)12-17(26-16)20(24)22-18(19-21-10-11-23(19)3)14-6-8-15(25-4)9-7-14/h6-12,18H,5H2,1-4H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide?
5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 25389100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).