N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide

C11H13N3O3S — CID 4922802

IUPACN-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
SMILESCOc1ccccc1C(=O)NNC(=S)NC(C)=O
InChIInChI=1S/C11H13N3O3S/c1-7(15)12-11(18)14-13-10(16)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,13,16)(H2,12,14,15,18)
InChIKeyYMAHKDRWMGDKTM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.35
Rot. Bonds2

About N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide

N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide (PubChem CID 4922802) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
PubChem CID4922802
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
SMILESCOc1ccccc1C(=O)NNC(=S)NC(C)=O
InChIInChI=1S/C11H13N3O3S/c1-7(15)12-11(18)14-13-10(16)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,13,16)(H2,12,14,15,18)
InChIKeyYMAHKDRWMGDKTM-UHFFFAOYSA-N
XLogP0.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4980698
3-iodo-4-methoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4922613
1-benzyl-3-[(2-methoxybenzoyl)amino]thiourea
CID 7977743
1-(2,3-dimethylphenyl)-3-[(2-methoxybenzoyl)amino]thiourea
CID 7923403
N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide
CID 4955656
2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4980684
(E)-3-(4-ethoxyphenyl)-N-[[(2-methoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 17227688
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980812
3-butoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957325
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2796729

Frequently Asked Questions

What is the IUPAC name of N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide?
The IUPAC name of N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide (CID 4922802) is N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide.
What is the SMILES notation for N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide?
The canonical SMILES for N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide is COc1ccccc1C(=O)NNC(=S)NC(C)=O.
What is the InChIKey of N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide?
The InChIKey is YMAHKDRWMGDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7(15)12-11(18)14-13-10(16)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,13,16)(H2,12,14,15,18).
What are the key properties of N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide?
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide has a molecular weight of 267.31 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide is sourced from PubChem (CID 4922802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).