N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C16H24N2OS — CID 119574242

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(C)(CN)C2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-12-4-3-5-13(8-12)9-20-10-15(19)18-16(2,11-17)14-6-7-14/h3-5,8,14H,6-7,9-11,17H2,1-2H3,(H,18,19)
InChIKeyHCJGMEQWXZLMOO-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.47
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 119574242) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID119574242
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(C)(CN)C2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-12-4-3-5-13(8-12)9-20-10-15(19)18-16(2,11-17)14-6-7-14/h3-5,8,14H,6-7,9-11,17H2,1-2H3,(H,18,19)
InChIKeyHCJGMEQWXZLMOO-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119523361
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119599005
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
methyl 2-amino-2-cyclopropyl-3-[(3-methylphenyl)methylsulfanyl]propanoate
CID 63920654
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
CID 119572490
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
N-(1-amino-2-cyclopropylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119574755
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 119605978
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide;hydrochloride
CID 120946086

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 119574242) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)NC(C)(CN)C2CC2)c1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is HCJGMEQWXZLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-4-3-5-13(8-12)9-20-10-15(19)18-16(2,11-17)14-6-7-14/h3-5,8,14H,6-7,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 119574242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).