N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide

C15H20N2OS — CID 110191073

IUPACN-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCc1cccc(CC)c1NC(=S)NC(=O)C1CC1
InChIInChI=1S/C15H20N2OS/c1-3-10-6-5-7-11(4-2)13(10)16-15(19)17-14(18)12-8-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyIULQYIYJIZNTOE-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.03
Rot. Bonds4

About N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide

N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 110191073) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID110191073
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCc1cccc(CC)c1NC(=S)NC(=O)C1CC1
InChIInChI=1S/C15H20N2OS/c1-3-10-6-5-7-11(4-2)13(10)16-15(19)17-14(18)12-8-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyIULQYIYJIZNTOE-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.03
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

N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide
CID 3004250
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 916714
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
3-(cyclopropanecarbonylcarbamothioylamino)-N-ethylbenzamide
CID 17230908
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[[3-(butanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17187694
N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 17087162
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide (CID 110191073) is N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide is CCc1cccc(CC)c1NC(=S)NC(=O)C1CC1.
What is the InChIKey of N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is IULQYIYJIZNTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-10-6-5-7-11(4-2)13(10)16-15(19)17-14(18)12-8-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 276.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 110191073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).