N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide

C15H22N4O2S — CID 9425692

IUPACN-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESCC(C)(C)NC(=S)NNC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C15H22N4O2S/c1-15(2,3)17-14(22)19-18-13(21)10-16-12(20)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,20)(H,18,21)(H2,17,19,22)
InChIKeyGNCMRJHBXGRMEA-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.64
Rot. Bonds4

About N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide

N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 9425692) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
PubChem CID9425692
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESCC(C)(C)NC(=S)NNC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C15H22N4O2S/c1-15(2,3)17-14(22)19-18-13(21)10-16-12(20)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,20)(H,18,21)(H2,17,19,22)
InChIKeyGNCMRJHBXGRMEA-UHFFFAOYSA-N
XLogP0.64
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

N-(tert-butylcarbamothioyl)-2-phenylacetamide;N-(tert-butylcarbamoyl)-2-phenylacetamide
CID 161463574
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 9425595
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577
1-benzamido-3-tert-butylthiourea
CID 2743091
1-tert-butyl-3-[[2-(2-methoxyphenyl)acetyl]amino]thiourea
CID 9425726
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-carbamothioylphenyl)acetamide
CID 115356330
1-tert-butyl-3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]thiourea
CID 9425924
N-[(benzylcarbamothioylamino)carbamothioyl]-2-phenylacetamide
CID 14221149
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide (CID 9425692) is N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide is CC(C)(C)NC(=S)NNC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is GNCMRJHBXGRMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-15(2,3)17-14(22)19-18-13(21)10-16-12(20)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,20)(H,18,21)(H2,17,19,22).
What are the key properties of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 322.43 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9425692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).