N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide

C14H20N2O2S — CID 112602723

IUPACN-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)Cc1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N2O2S/c1-10(2)18-9-13(17)16(3)8-11-5-4-6-12(7-11)14(15)19/h4-7,10H,8-9H2,1-3H3,(H2,15,19)
InChIKeyRMBJFACRZFVDFZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.70
Rot. Bonds6

About N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide

N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide (PubChem CID 112602723) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
PubChem CID112602723
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)Cc1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N2O2S/c1-10(2)18-9-13(17)16(3)8-11-5-4-6-12(7-11)14(15)19/h4-7,10H,8-9H2,1-3H3,(H2,15,19)
InChIKeyRMBJFACRZFVDFZ-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(3-carbamothioylphenyl)methyl]-N-methylcarbamate
CID 62967038
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N,3-dimethylbutanamide
CID 103020413
N-[(3-carbamothioylphenyl)methyl]-N-methylheptanamide
CID 114752780
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 62967035
ethyl 2-[(3-carbamothioylphenyl)methyl-methylamino]pentanoate
CID 83039317
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-(thian-4-yl)acetamide
CID 83135893
N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 55141357
N-[(3-carbamothioylphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 102921851
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 81121564
5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
CID 62967031
N-[(3-carbamothioylphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 65239101

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide (CID 112602723) is N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(C)Cc1cccc(C(N)=S)c1.
What is the InChIKey of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
The InChIKey is RMBJFACRZFVDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)18-9-13(17)16(3)8-11-5-4-6-12(7-11)14(15)19/h4-7,10H,8-9H2,1-3H3,(H2,15,19).
What are the key properties of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112602723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).