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

C21H21ClN4O3S — CID 25099709

IUPAC5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2C)ccc1N1CCOCC1=O
InChIInChI=1S/C21H21ClN4O3S/c1-13-9-15(3-4-17(13)25-7-8-29-11-20(25)27)26-12-24-16(14(26)2)10-23-21(28)18-5-6-19(22)30-18/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,23,28)
InChIKeyCEFQIAMREGXSAH-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.50
Rot. Bonds5

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

5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 25099709) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID25099709
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC Name5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2C)ccc1N1CCOCC1=O
InChIInChI=1S/C21H21ClN4O3S/c1-13-9-15(3-4-17(13)25-7-8-29-11-20(25)27)26-12-24-16(14(26)2)10-23-21(28)18-5-6-19(22)30-18/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,23,28)
InChIKeyCEFQIAMREGXSAH-UHFFFAOYSA-N
XLogP3.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-3-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436930
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-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
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-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436936
5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
CID 25051766
1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
CID 69055139
tert-butyl N-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]carbamate
CID 68884023
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
CID 68883498
5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 73332698
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 25099709) is 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is Cc1cc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2C)ccc1N1CCOCC1=O.
What is the InChIKey of 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CEFQIAMREGXSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-13-9-15(3-4-17(13)25-7-8-29-11-20(25)27)26-12-24-16(14(26)2)10-23-21(28)18-5-6-19(22)30-18/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,23,28).
What are the key properties of 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25099709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).