3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide

C23H21N3O2S — CID 37126887

IUPAC3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H21N3O2S/c1-16-24-19-11-6-5-10-18(19)23(28)26(16)14-13-21(27)25-22(20-12-7-15-29-20)17-8-3-2-4-9-17/h2-12,15,22H,13-14H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyJWMBTYFPPBHDFX-QFIPXVFZSA-N
MW403.51 g/mol
LogP4.06
Rot. Bonds6

About 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide

3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide (PubChem CID 37126887) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
PubChem CID37126887
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H21N3O2S/c1-16-24-19-11-6-5-10-18(19)23(28)26(16)14-13-21(27)25-22(20-12-7-15-29-20)17-8-3-2-4-9-17/h2-12,15,22H,13-14H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyJWMBTYFPPBHDFX-QFIPXVFZSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.06
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
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55690231
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824508
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
2-methyl-3-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]quinazolin-4-one
CID 37072690
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 9329683
3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide
CID 46970883
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37020742
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide (CID 37126887) is 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide is Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The InChIKey is JWMBTYFPPBHDFX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-24-19-11-6-5-10-18(19)23(28)26(16)14-13-21(27)25-22(20-12-7-15-29-20)17-8-3-2-4-9-17/h2-12,15,22H,13-14H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide has a molecular weight of 403.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 37126887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).