N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C19H24N4O2S — CID 7145941

IUPACN-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1
InChIInChI=1S/C19H24N4O2S/c1-12-7-3-5-9-15(12)22-19(25)23-17(24)11-26-18-14-8-4-6-10-16(14)20-13(2)21-18/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3,(H2,22,23,24,25)/t12-,15-/m1/s1
InChIKeyZKWNOJAKSNJNLT-IUODEOHRSA-N
MW372.49 g/mol
LogP3.43
Rot. Bonds4

About N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7145941) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7145941
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1
InChIInChI=1S/C19H24N4O2S/c1-12-7-3-5-9-15(12)22-19(25)23-17(24)11-26-18-14-8-4-6-10-16(14)20-13(2)21-18/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3,(H2,22,23,24,25)/t12-,15-/m1/s1
InChIKeyZKWNOJAKSNJNLT-IUODEOHRSA-N
XLogP3.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116669
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116672
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680684
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
N-(2-methylcyclohexyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 17411616
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787455
N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 128956684
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7133886
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 9318254
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11934468

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7145941) is N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1.
What is the InChIKey of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is ZKWNOJAKSNJNLT-IUODEOHRSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-7-3-5-9-15(12)22-19(25)23-17(24)11-26-18-14-8-4-6-10-16(14)20-13(2)21-18/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3,(H2,22,23,24,25)/t12-,15-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7145941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).