N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide

C14H19N3OS — CID 134118818

IUPACN-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CC(C)(C)NC2=S)cc1
InChIInChI=1S/C14H19N3OS/c1-4-10-5-7-11(8-6-10)15-12(18)17-9-14(2,3)16-13(17)19/h5-8H,4,9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyANUSZYBSYUXMGN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.75
Rot. Bonds2

About N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide

N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 134118818) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID134118818
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CC(C)(C)NC2=S)cc1
InChIInChI=1S/C14H19N3OS/c1-4-10-5-7-11(8-6-10)15-12(18)17-9-14(2,3)16-13(17)19/h5-8H,4,9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyANUSZYBSYUXMGN-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.75
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

butyl 4-[(4,4-dimethyl-2-sulfanylideneimidazolidine-1-carbonyl)amino]benzoate
CID 134094315
4,4-dimethyl-N-(3-methylphenyl)-2-sulfanylideneimidazolidine-1-carboxamide
CID 134123835
N-(4-ethylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
CID 4591606
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
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CID 63127797
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 166250869
N-(4-ethylphenyl)piperazine-1-carbothioamide
CID 82297208
4-[bis(4-fluorophenyl)methyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 4988040
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide (CID 134118818) is N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide is CCc1ccc(NC(=O)N2CC(C)(C)NC2=S)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is ANUSZYBSYUXMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-10-5-7-11(8-6-10)15-12(18)17-9-14(2,3)16-13(17)19/h5-8H,4,9H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 134118818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).