N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide

C15H23N3OS — CID 50880777

IUPACN-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide
SMILESCCc1cc(NC(N)=S)cc(C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-6-10-8-11(17-14(16)20)7-9(2)12(10)18-13(19)15(3,4)5/h7-8H,6H2,1-5H3,(H,18,19)(H3,16,17,20)
InChIKeyOUXFWXQHUZPQFW-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.20
Rot. Bonds3

About N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide

N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 50880777) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide
PubChem CID50880777
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide
SMILESCCc1cc(NC(N)=S)cc(C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-6-10-8-11(17-14(16)20)7-9(2)12(10)18-13(19)15(3,4)5/h7-8H,6H2,1-5H3,(H,18,19)(H3,16,17,20)
InChIKeyOUXFWXQHUZPQFW-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide (CID 50880777) is N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide is CCc1cc(NC(N)=S)cc(C)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is OUXFWXQHUZPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-6-10-8-11(17-14(16)20)7-9(2)12(10)18-13(19)15(3,4)5/h7-8H,6H2,1-5H3,(H,18,19)(H3,16,17,20).
What are the key properties of N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide?
N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 293.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 50880777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).