4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide

C21H25N3OS — CID 55476034

IUPAC4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCc2ccccc2Cn2ccnc2)cc1CC
InChIInChI=1S/C21H25N3OS/c1-3-7-19-16(4-2)12-20(26-19)21(25)23-13-17-8-5-6-9-18(17)14-24-11-10-22-15-24/h5-6,8-12,15H,3-4,7,13-14H2,1-2H3,(H,23,25)
InChIKeyACBVDJROWKSLOF-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.44
Rot. Bonds8

About 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide

4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide (PubChem CID 55476034) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
PubChem CID55476034
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCc2ccccc2Cn2ccnc2)cc1CC
InChIInChI=1S/C21H25N3OS/c1-3-7-19-16(4-2)12-20(26-19)21(25)23-13-17-8-5-6-9-18(17)14-24-11-10-22-15-24/h5-6,8-12,15H,3-4,7,13-14H2,1-2H3,(H,23,25)
InChIKeyACBVDJROWKSLOF-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31815067
4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 52607278
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 24650019
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide (CID 55476034) is 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NCc2ccccc2Cn2ccnc2)cc1CC.
What is the InChIKey of 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide?
The InChIKey is ACBVDJROWKSLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-3-7-19-16(4-2)12-20(26-19)21(25)23-13-17-8-5-6-9-18(17)14-24-11-10-22-15-24/h5-6,8-12,15H,3-4,7,13-14H2,1-2H3,(H,23,25).
What are the key properties of 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 55476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).