N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C21H23N3O2S — CID 55690231

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C21H23N3O2S/c1-14-22-17-10-5-4-9-16(17)21(26)24(14)13-19(25)23-20(15-7-2-3-8-15)18-11-6-12-27-18/h4-6,9-12,15,20H,2-3,7-8,13H2,1H3,(H,23,25)
InChIKeyMZOZNPMJCZEBQF-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.81
Rot. Bonds5

About N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55690231) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55690231
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C21H23N3O2S/c1-14-22-17-10-5-4-9-16(17)21(26)24(14)13-19(25)23-20(15-7-2-3-8-15)18-11-6-12-27-18/h4-6,9-12,15,20H,2-3,7-8,13H2,1H3,(H,23,25)
InChIKeyMZOZNPMJCZEBQF-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575513
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 37126887
2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide
CID 52521562
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39613298
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39613297
N-(2-cyclopentylpyrazol-3-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55571044
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
CID 47031450
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55690231) is N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)NC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is MZOZNPMJCZEBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-22-17-10-5-4-9-16(17)21(26)24(14)13-19(25)23-20(15-7-2-3-8-15)18-11-6-12-27-18/h4-6,9-12,15,20H,2-3,7-8,13H2,1H3,(H,23,25).
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).