5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C25H26N6O3S — CID 143419837

IUPAC5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(-c3ccc(N4CCOCC4=O)c(C)c3)c(-c3cncn3C)n2)s1
InChIInChI=1S/C25H26N6O3S/c1-16-10-19(5-6-20(16)30-8-9-34-14-23(30)32)31-13-18(28-24(31)21-12-26-15-29(21)3)11-27-25(33)22-7-4-17(2)35-22/h4-7,10,12-13,15H,8-9,11,14H2,1-3H3,(H,27,33)
InChIKeyKKQLCKZGZCNQHA-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.24
Rot. Bonds6

About 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 143419837) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID143419837
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(-c3ccc(N4CCOCC4=O)c(C)c3)c(-c3cncn3C)n2)s1
InChIInChI=1S/C25H26N6O3S/c1-16-10-19(5-6-20(16)30-8-9-34-14-23(30)32)31-13-18(28-24(31)21-12-26-15-29(21)3)11-27-25(33)22-7-4-17(2)35-22/h4-7,10,12-13,15H,8-9,11,14H2,1-3H3,(H,27,33)
InChIKeyKKQLCKZGZCNQHA-UHFFFAOYSA-N
XLogP3.24
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099709
tert-butyl N-[[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-2-yl]methyl]carbamate
CID 25099794
5-chloro-N-[[1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-3-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436930
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
5-chloro-N-[[1-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-pyridin-4-ylimidazol-4-yl]methyl]thiophene-2-carboxamide
CID 59672119
5-bromo-N-[(4R)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-4-propylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 143254118
5-bromo-N-[4-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 11555256
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436936
1-[(5-bromothiophene-2-carbonyl)amino]-1-(cyclopropylmethyl)-3-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]urea
CID 67100549
N-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58137034
4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one
CID 159687168

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 143419837) is 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cn(-c3ccc(N4CCOCC4=O)c(C)c3)c(-c3cncn3C)n2)s1.
What is the InChIKey of 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KKQLCKZGZCNQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-16-10-19(5-6-20(16)30-8-9-34-14-23(30)32)31-13-18(28-24(31)21-12-26-15-29(21)3)11-27-25(33)22-7-4-17(2)35-22/h4-7,10,12-13,15H,8-9,11,14H2,1-3H3,(H,27,33).
What are the key properties of 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(3-methylimidazol-4-yl)-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 143419837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).