N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

C26H26N4O2S — CID 55813579

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2ccccc2Cn2ccnc2)cc1
InChIInChI=1S/C26H26N4O2S/c1-18(2)19-7-9-20(10-8-19)24(31)29-26-23(11-14-33-26)25(32)28-15-21-5-3-4-6-22(21)16-30-13-12-27-17-30/h3-14,17-18H,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyUIYSOTOTBXDKOQ-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.30
Rot. Bonds8

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 55813579) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID55813579
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2ccccc2Cn2ccnc2)cc1
InChIInChI=1S/C26H26N4O2S/c1-18(2)19-7-9-20(10-8-19)24(31)29-26-23(11-14-33-26)25(32)28-15-21-5-3-4-6-22(21)16-30-13-12-27-17-30/h3-14,17-18H,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyUIYSOTOTBXDKOQ-UHFFFAOYSA-N
XLogP5.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide with MolForge

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Related Compounds

methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55963519
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
(2S,3R)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 32951602
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55967083
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (CID 55813579) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2ccccc2Cn2ccnc2)cc1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is UIYSOTOTBXDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18(2)19-7-9-20(10-8-19)24(31)29-26-23(11-14-33-26)25(32)28-15-21-5-3-4-6-22(21)16-30-13-12-27-17-30/h3-14,17-18H,15-16H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 55813579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).