2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide

C16H24N2OS — CID 62001882

IUPAC2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide
SMILESCCc1ccc(N(C)C(=O)C(CC)(CC)C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-5-12-8-10-13(11-9-12)18(4)15(19)16(6-2,7-3)14(17)20/h8-11H,5-7H2,1-4H3,(H2,17,20)
InChIKeyMBSFJEULZXFQPQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.30
Rot. Bonds6

About 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide

2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide (PubChem CID 62001882) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide
PubChem CID62001882
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide
SMILESCCc1ccc(N(C)C(=O)C(CC)(CC)C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-5-12-8-10-13(11-9-12)18(4)15(19)16(6-2,7-3)14(17)20/h8-11H,5-7H2,1-4H3,(H2,17,20)
InChIKeyMBSFJEULZXFQPQ-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422
1-(4-ethylphenyl)-1,2-dimethylguanidine
CID 62358606
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80547263
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260660
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
CID 104903373
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide?
The IUPAC name of 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide (CID 62001882) is 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide is CCc1ccc(N(C)C(=O)C(CC)(CC)C(N)=S)cc1.
What is the InChIKey of 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide?
The InChIKey is MBSFJEULZXFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-12-8-10-13(11-9-12)18(4)15(19)16(6-2,7-3)14(17)20/h8-11H,5-7H2,1-4H3,(H2,17,20).
What are the key properties of 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide?
2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide has a molecular weight of 292.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide is sourced from PubChem (CID 62001882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).