N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide

C20H28N4O3S — CID 7904127

IUPACN-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CCCC(C)C
InChIInChI=1S/C20H28N4O3S/c1-13(2)8-7-9-14(3)24-18(26)15-10-5-6-11-16(15)22-20(24)28-12-17(25)23-19(27)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H2,21,23,25,27)/t14-/m1/s1
InChIKeyOAIYJJIWPWNKMI-CQSZACIVSA-N
MW404.54 g/mol
LogP3.33
Rot. Bonds8

About N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 7904127) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID7904127
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CCCC(C)C
InChIInChI=1S/C20H28N4O3S/c1-13(2)8-7-9-14(3)24-18(26)15-10-5-6-11-16(15)22-20(24)28-12-17(25)23-19(27)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H2,21,23,25,27)/t14-/m1/s1
InChIKeyOAIYJJIWPWNKMI-CQSZACIVSA-N
XLogP3.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-butan-2-yl-2-[3-(6-methylheptan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783702
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 7501248
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 4300691
N-[4-[[3-(6-methylheptan-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112783695
ethyl N-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 2635460
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2502347
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 8665789
N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713138
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 4815367
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-tert-butylacetamide
CID 2529333

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 7904127) is N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide is CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CCCC(C)C.
What is the InChIKey of N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is OAIYJJIWPWNKMI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-13(2)8-7-9-14(3)24-18(26)15-10-5-6-11-16(15)22-20(24)28-12-17(25)23-19(27)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H2,21,23,25,27)/t14-/m1/s1.
What are the key properties of N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 404.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7904127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).