N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide

C15H23N3OS — CID 9213557

IUPACN-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide
SMILESCCNC(=O)CN(CC)C(=S)NCCc1ccccc1
InChIInChI=1S/C15H23N3OS/c1-3-16-14(19)12-18(4-2)15(20)17-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCEWGIUHUURJOLY-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.56
Rot. Bonds7

About N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide

N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide (PubChem CID 9213557) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide
PubChem CID9213557
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide
SMILESCCNC(=O)CN(CC)C(=S)NCCc1ccccc1
InChIInChI=1S/C15H23N3OS/c1-3-16-14(19)12-18(4-2)15(20)17-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCEWGIUHUURJOLY-UHFFFAOYSA-N
XLogP1.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.56
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

1-benzyl-1,3-bis(2-phenylethyl)thiourea
CID 7941441
N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide
CID 9213542
1-(2,2-diethoxyethyl)-1,3-bis(2-phenylethyl)thiourea
CID 3780789
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
3-benzyl-1,1-diethylthiourea
CID 10922120
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
N-ethyl-2-[ethyl-[2-(N-methylanilino)acetyl]amino]acetamide
CID 47117762
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
2-[(3-bromophenyl)carbamothioyl-ethylamino]-N-ethylacetamide
CID 9236752
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-ethyl-6-phenylhexanamide
CID 70953257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide (CID 9213557) is N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide is CCNC(=O)CN(CC)C(=S)NCCc1ccccc1.
What is the InChIKey of N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide?
The InChIKey is CEWGIUHUURJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-16-14(19)12-18(4-2)15(20)17-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide?
N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl(2-phenylethylcarbamothioyl)amino]acetamide is sourced from PubChem (CID 9213557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).