N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide

C16H24N2OS — CID 62538513

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(CC(=O)N(CCC(N)=S)C(C)C)c1
InChIInChI=1S/C16H24N2OS/c1-11(2)18(8-7-15(17)20)16(19)10-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,20)
InChIKeyFYVGFBKXHPNPBS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.76
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide (PubChem CID 62538513) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
PubChem CID62538513
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(CC(=O)N(CCC(N)=S)C(C)C)c1
InChIInChI=1S/C16H24N2OS/c1-11(2)18(8-7-15(17)20)16(19)10-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,20)
InChIKeyFYVGFBKXHPNPBS-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 63393742
N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 80662195
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62538681
N-(3-amino-3-sulfanylidenepropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 54997894
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 62538346
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
3-[(2-chloro-4-methylphenyl)methyl-propan-2-ylamino]propanethioamide
CID 106863520
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 112602687
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide (CID 62538513) is N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide is Cc1ccc(C)c(CC(=O)N(CCC(N)=S)C(C)C)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The InChIKey is FYVGFBKXHPNPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(2)18(8-7-15(17)20)16(19)10-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).