2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide

C10H10ClN3O3S — CID 61388966

IUPAC2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C10H10ClN3O3S/c11-6-3-5(9(12)18)1-2-7(6)17-4-8(15)14-10(13)16/h1-3H,4H2,(H2,12,18)(H3,13,14,15,16)
InChIKeyACGWGWVLVOPWMQ-UHFFFAOYSA-N
MW287.73 g/mol
LogP0.55
Rot. Bonds4

About 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide

2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide (PubChem CID 61388966) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
PubChem CID61388966
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C10H10ClN3O3S/c11-6-3-5(9(12)18)1-2-7(6)17-4-8(15)14-10(13)16/h1-3H,4H2,(H2,12,18)(H3,13,14,15,16)
InChIKeyACGWGWVLVOPWMQ-UHFFFAOYSA-N
XLogP0.55
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-carbamothioyl-2-methylphenoxy)-N-carbamoylacetamide
CID 107656441
methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
2-(2-carbamothioyl-3-chlorophenoxy)-N-carbamoylacetamide
CID 113277330
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788
3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 60676405
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
3-chloro-4-(5-hydroxypentoxy)benzenecarbothioamide
CID 62228846
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
CID 55147530
3-chloro-4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 61389078
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide?
The IUPAC name of 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide (CID 61388966) is 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide?
The canonical SMILES for 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide is NC(=O)NC(=O)COc1ccc(C(N)=S)cc1Cl.
What is the InChIKey of 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide?
The InChIKey is ACGWGWVLVOPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c11-6-3-5(9(12)18)1-2-7(6)17-4-8(15)14-10(13)16/h1-3H,4H2,(H2,12,18)(H3,13,14,15,16).
What are the key properties of 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide?
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide has a molecular weight of 287.73 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide is sourced from PubChem (CID 61388966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).