N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide

C13H18FN3OS — CID 9213542

IUPACN-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide
SMILESCCNC(=O)CN(CC)C(=S)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3OS/c1-3-15-12(18)9-17(4-2)13(19)16-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyPVZZCGRQUNQTOH-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide

N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide (PubChem CID 9213542) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide
PubChem CID9213542
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC NameN-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide
SMILESCCNC(=O)CN(CC)C(=S)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3OS/c1-3-15-12(18)9-17(4-2)13(19)16-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyPVZZCGRQUNQTOH-UHFFFAOYSA-N
XLogP1.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)carbamothioyl-ethylamino]-N-ethylacetamide
CID 9236752
2-[(3-chloro-2-methylphenyl)carbamothioyl-ethylamino]-N-ethylacetamide
CID 9213584
N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide
CID 9213557
3-(4-acetylphenyl)-1,1-diethylthiourea
CID 19652941
N-ethyl-3-(4-fluoroanilino)propanamide
CID 62324389
ethyl N-[2-[[4-(difluoromethoxy)phenyl]carbamothioyl-ethylamino]acetyl]carbamate
CID 8680331
2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
CID 55016540
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719175
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 55874865
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089290
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide (CID 9213542) is N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide is CCNC(=O)CN(CC)C(=S)Nc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide?
The InChIKey is PVZZCGRQUNQTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c1-3-15-12(18)9-17(4-2)13(19)16-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide?
N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide has a molecular weight of 283.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide is sourced from PubChem (CID 9213542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).