N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide

C15H16N2OS2 — CID 62967035

IUPACN-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(Cc1cccc(C(N)=S)c1)C(=O)Cc1ccsc1
InChIInChI=1S/C15H16N2OS2/c1-17(14(18)8-12-5-6-20-10-12)9-11-3-2-4-13(7-11)15(16)19/h2-7,10H,8-9H2,1H3,(H2,16,19)
InChIKeyILGNOEWFGNUKLD-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.58
Rot. Bonds5

About N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide

N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 62967035) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID62967035
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(Cc1cccc(C(N)=S)c1)C(=O)Cc1ccsc1
InChIInChI=1S/C15H16N2OS2/c1-17(14(18)8-12-5-6-20-10-12)9-11-3-2-4-13(7-11)15(16)19/h2-7,10H,8-9H2,1H3,(H2,16,19)
InChIKeyILGNOEWFGNUKLD-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.58
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]-N-methylheptanamide
CID 114752780
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112602723
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N,3-dimethylbutanamide
CID 103020413
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-(thian-4-yl)acetamide
CID 83135893
N-[(3-carbamothioylphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 65239101
ethyl 2-[(3-carbamothioylphenyl)methyl-methylamino]pentanoate
CID 83039317
N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 55141357
N-[(3-carbamothioylphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 102921851
N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 42852740
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
2,5-dibromo-N-[(3-carbamothioylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 107961783

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide (CID 62967035) is N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide is CN(Cc1cccc(C(N)=S)c1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is ILGNOEWFGNUKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-17(14(18)8-12-5-6-20-10-12)9-11-3-2-4-13(7-11)15(16)19/h2-7,10H,8-9H2,1H3,(H2,16,19).
What are the key properties of N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 304.44 g/mol, XLogP of 2.58, 5 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-thiophen-3-ylacetamide is sourced from PubChem (CID 62967035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).