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

C24H23N3O2S — CID 55575513

IUPACN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1ccc(C(NC(=O)Cn2c(C)nc3ccccc3c2=O)c2cccs2)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-17-10-12-18(13-11-17)23(21-9-6-14-30-21)26-22(28)15-27-16(2)25-20-8-5-4-7-19(20)24(27)29/h4-14,23H,3,15H2,1-2H3,(H,26,28)
InChIKeyWQRNHRAUQBOOFD-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.23
Rot. Bonds6

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

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55575513) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55575513
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1ccc(C(NC(=O)Cn2c(C)nc3ccccc3c2=O)c2cccs2)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-17-10-12-18(13-11-17)23(21-9-6-14-30-21)26-22(28)15-27-16(2)25-20-8-5-4-7-19(20)24(27)29/h4-14,23H,3,15H2,1-2H3,(H,26,28)
InChIKeyWQRNHRAUQBOOFD-UHFFFAOYSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 37126887
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55690231
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824508
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]acetamide
CID 31589860
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55990247
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879286
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
2-[2-[[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8868552
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55575513) is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is CCc1ccc(C(NC(=O)Cn2c(C)nc3ccccc3c2=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WQRNHRAUQBOOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-17-10-12-18(13-11-17)23(21-9-6-14-30-21)26-22(28)15-27-16(2)25-20-8-5-4-7-19(20)24(27)29/h4-14,23H,3,15H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55575513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).